Abstract
(C20H20P)2[CuBr4], monoclinic, P21/n, a = 24.6469(9) Å, b = 12.4301(5) Å, c = 25.5369(9) Å, b = 91.016(2)°, V = 7822.3(5) Å3, Z = 8, Rgt(F) = 0.0733, wRref(F2) = 0.1806, T = 200.
The crystal structure is shown in the figure, Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
Crystal: | Red, platelet, size 0.048×0.258×0.304 mm |
Wavelength: | Mo Kα radiation (0.71069 Å) |
μ: | 47.54 cm−1 |
Diffractometer, scan mode: | Bruker APEX-II CCD, φ and ω scans |
2θmax: | 56.73° |
N(hkl)measured, N(hkl)unique: | 19458, 19458 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 11882 |
N(param)refined: | 852 |
Programs: | SHELXS-97 [9], WinGX [10], Mercury [11], Platon [12] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | Site | x | y | z | Uiso |
---|---|---|---|---|---|
H(11A) | 4e | 0.4497 | 0.9448 | 0.4956 | 0.047 |
H(11B) | 4e | 0.4892 | 0.8538 | 0.4737 | 0.047 |
H(12A) | 4e | 0.4479 | 0.9501 | 0.4034 | 0.080 |
H(12B) | 4e | 0.3892 | 0.9147 | 0.4230 | 0.080 |
H(12C) | 4e | 0.4301 | 0.8264 | 0.4008 | 0.080 |
H(21A) | 4e | 0.8171 | 0.2071 | 0.2003 | 0.036 |
H(21B) | 4e | 0.7751 | 0.3042 | 0.2062 | 0.036 |
H(22A) | 4e | 0.8654 | 0.3641 | 0.2200 | 0.075 |
H(22B) | 4e | 0.8720 | 0.2834 | 0.2685 | 0.075 |
H(22C) | 4e | 0.8307 | 0.3824 | 0.2716 | 0.075 |
H(31A) | 4e | −0.0205 | 0.3600 | 0.4874 | 0.041 |
H(31B) | 4e | 0.0051 | 0.4477 | 0.4492 | 0.041 |
H(32A) | 4e | −0.0695 | 0.4283 | 0.3900 | 0.056 |
H(32B) | 4e | −0.0919 | 0.4570 | 0.4467 | 0.056 |
H(32C) | 4e | −0.0945 | 0.3357 | 0.4258 | 0.056 |
H(41A) | 4e | 0.3033 | 0.2920 | 0.1840 | 0.052 |
H(41B) | 4e | 0.2978 | 0.1937 | 0.2239 | 0.052 |
H(42A) | 4e | 0.2336 | 0.2113 | 0.1300 | 0.087 |
H(42B) | 4e | 0.2345 | 0.1095 | 0.1684 | 0.087 |
H(42C) | 4e | 0.2868 | 0.1379 | 0.1349 | 0.087 |
H(112) | 4e | 0.5081 | 0.8577 | 0.5674 | 0.067 |
H(113) | 4e | 0.5446 | 0.8265 | 0.6528 | 0.086 |
H(114) | 4e | 0.4987 | 0.7220 | 0.7107 | 0.092 |
H(115) | 4e | 0.4175 | 0.6410 | 0.6866 | 0.097 |
H(116) | 4e | 0.3794 | 0.6740 | 0.6037 | 0.073 |
H(122) | 4e | 0.4835 | 0.6818 | 0.4354 | 0.044 |
H(123) | 4e | 0.4989 | 0.5049 | 0.4075 | 0.047 |
H(124) | 4e | 0.4442 | 0.3674 | 0.4379 | 0.050 |
H(125) | 4e | 0.3756 | 0.4028 | 0.4965 | 0.047 |
H(126) | 4e | 0.3625 | 0.5763 | 0.5272 | 0.043 |
H(132) | 4e | 0.3138 | 0.7050 | 0.4640 | 0.039 |
H(133) | 4e | 0.2253 | 0.7732 | 0.4622 | 0.047 |
H(134) | 4e | 0.2060 | 0.9297 | 0.5087 | 0.053 |
H(135) | 4e | 0.2737 | 1.0178 | 0.5572 | 0.046 |
H(136) | 4e | 0.3607 | 0.9436 | 0.5621 | 0.043 |
H(212) | 4e | 0.7251 | 0.1378 | 0.1721 | 0.044 |
H(213) | 4e | 0.6411 | 0.0864 | 0.1363 | 0.056 |
H(214) | 4e | 0.5675 | 0.0628 | 0.1910 | 0.057 |
H(215) | 4e | 0.5784 | 0.0822 | 0.2823 | 0.054 |
H(216) | 4e | 0.6619 | 0.1347 | 0.3172 | 0.046 |
H(222) | 4e | 0.6972 | 0.3604 | 0.2904 | 0.046 |
H(223) | 4e | 0.6868 | 0.4891 | 0.3546 | 0.057 |
H(224) | 4e | 0.7396 | 0.4803 | 0.4317 | 0.056 |
H(225) | 4e | 0.8023 | 0.3404 | 0.4437 | 0.053 |
H(226) | 4e | 0.8110 | 0.2091 | 0.3790 | 0.045 |
H(232) | 4e | 0.7501 | 0.0129 | 0.3471 | 0.051 |
H(233) | 4e | 0.7994 | −0.1376 | 0.3734 | 0.063 |
H(234) | 4e | 0.8844 | −0.1692 | 0.3393 | 0.060 |
H(235) | 4e | 0.9197 | −0.0528 | 0.2783 | 0.056 |
H(236) | 4e | 0.8697 | 0.0972 | 0.2486 | 0.047 |
H(312) | 4e | −0.0606 | 0.1906 | 0.4852 | 0.039 |
H(313) | 4e | −0.0948 | 0.0188 | 0.5009 | 0.052 |
H(314) | 4e | −0.0722 | −0.1224 | 0.4456 | 0.051 |
H(315) | 4e | −0.0111 | −0.0943 | 0.3785 | 0.051 |
H(316) | 4e | 0.0252 | 0.0771 | 0.3642 | 0.040 |
H(322) | 4e | 0.0705 | 0.4467 | 0.3678 | 0.038 |
H(323) | 4e | 0.0670 | 0.5265 | 0.2849 | 0.048 |
H(324) | 4e | 0.0178 | 0.4430 | 0.2172 | 0.050 |
H(325) | 4e | −0.0295 | 0.2855 | 0.2317 | 0.048 |
H(326) | 4e | −0.0299 | 0.2082 | 0.3155 | 0.042 |
H(332) | 4e | 0.0815 | 0.3675 | 0.5036 | 0.055 |
H(333) | 4e | 0.1682 | 0.3310 | 0.5376 | 0.068 |
H(334) | 4e | 0.2238 | 0.2079 | 0.4975 | 0.057 |
H(335) | 4e | 0.1937 | 0.1166 | 0.4233 | 0.069 |
H(336) | 4e | 0.1079 | 0.1514 | 0.3887 | 0.055 |
H(412) | 4e | 0.1745 | 0.3544 | 0.3300 | 0.049 |
H(413) | 4e | 0.2069 | 0.4060 | 0.4125 | 0.075 |
H(414) | 4e | 0.2978 | 0.4337 | 0.4273 | 0.089 |
H(415) | 4e | 0.3585 | 0.4147 | 0.3597 | 0.079 |
H(416) | 4e | 0.3293 | 0.3588 | 0.2766 | 0.062 |
H(422) | 4e | 0.1220 | 0.2811 | 0.1796 | 0.049 |
H(423) | 4e | 0.0526 | 0.1532 | 0.1848 | 0.069 |
H(424) | 4e | 0.0593 | 0.0155 | 0.2447 | 0.072 |
H(425) | 4e | 0.1318 | 0.0054 | 0.3023 | 0.066 |
H(426) | 4e | 0.2018 | 0.1300 | 0.2994 | 0.049 |
H(432) | 4e | 0.2472 | 0.3947 | 0.1295 | 0.036 |
H(433) | 4e | 0.2122 | 0.5412 | 0.0809 | 0.043 |
H(434) | 4e | 0.1545 | 0.6637 | 0.1198 | 0.043 |
H(435) | 4e | 0.1276 | 0.6383 | 0.2051 | 0.051 |
H(436) | 4e | 0.1560 | 0.4867 | 0.2516 | 0.047 |
Fractional atomic coordinates and atomic displacement parameters (Å2).
Atom | Site | x | y | z | U11 | U22 | U33 | U12 | U13 | U23 |
---|---|---|---|---|---|---|---|---|---|---|
Br(11) | 4e | 0.41734(4) | 0.36082(8) | 0.64480(3) | 0.0392(5) | 0.0370(5) | 0.0350(5) | −0.0069(4) | 0.0002(4) | −0.0103(4) |
Br(12) | 4e | 0.43208(4) | 0.07584(8) | 0.62522(4) | 0.0536(6) | 0.0401(5) | 0.0337(5) | 0.0133(5) | −0.0109(4) | −0.0020(4) |
Br(13) | 4e | 0.39177(4) | 0.16645(7) | 0.49817(3) | 0.0484(5) | 0.0312(5) | 0.0243(4) | 0.0023(4) | 0.0036(4) | −0.0023(4) |
Br(14) | 4e | 0.29179(4) | 0.28102(9) | 0.58247(4) | 0.0293(5) | 0.0590(6) | 0.0378(5) | 0.0093(4) | −0.0065(4) | −0.0124(4) |
Br(21) | 4e | 0.50791(4) | 0.16997(7) | 0.09922(4) | 0.0308(5) | 0.0339(5) | 0.0415(5) | 0.0069(4) | 0.0001(4) | −0.0004(4) |
Br(22) | 4e | 0.42770(4) | 0.26520(9) | 0.20742(3) | 0.0505(6) | 0.0529(6) | 0.0257(4) | 0.0103(5) | −0.0099(4) | −0.0043(4) |
Br(23) | 4e | 0.36418(4) | 0.38624(7) | 0.09745(3) | 0.0308(5) | 0.0326(5) | 0.0353(4) | 0.0039(4) | −0.0054(3) | 0.0034(4) |
Br(24) | 4e | 0.37217(4) | 0.10677(8) | 0.05918(4) | 0.0393(5) | 0.0439(6) | 0.0415(5) | −0.0031(4) | −0.0048(4) | −0.0130(4) |
Cu(1) | 4e | 0.38395(4) | 0.22207(8) | 0.58752(4) | 0.0286(5) | 0.0293(6) | 0.0242(5) | 0.0022(4) | −0.0018(4) | −0.0035(4) |
Cu(2) | 4e | 0.41836(4) | 0.23142(8) | 0.11547(4) | 0.0284(5) | 0.0308(6) | 0.0254(5) | 0.0039(4) | −0.0029(4) | −0.0017(4) |
P(1) | 4e | 0.41531(9) | 0.7772(2) | 0.51221(8) | 0.024(1) | 0.025(1) | 0.031(1) | −0.0012(9) | −0.0018(9) | 0.0003(9) |
P(2) | 4e | 0.76573(9) | 0.1833(2) | 0.27438(8) | 0.032(1) | 0.029(1) | 0.026(1) | −0.003(1) | 0.0000(9) | 0.0033(9) |
P(3) | 4e | 0.01833(9) | 0.2776(2) | 0.41696(8) | 0.028(1) | 0.024(1) | 0.024(1) | 0.0002(9) | −0.0026(8) | −0.0012(9) |
P(4) | 4e | 0.22496(9) | 0.3097(2) | 0.23191(9) | 0.031(1) | 0.032(1) | 0.031(1) | 0.003(1) | 0.0034(9) | 0.007(1) |
C(11) | 4e | 0.4508(4) | 0.8758(7) | 0.4763(4) | 0.030(5) | 0.021(5) | 0.067(6) | 0.003(4) | 0.006(5) | 0.002(4) |
C(12) | 4e | 0.4274(4) | 0.8933(9) | 0.4209(4) | 0.045(6) | 0.053(7) | 0.061(7) | 0.001(5) | −0.005(5) | 0.022(6) |
C(21) | 4e | 0.8013(3) | 0.2580(7) | 0.2256(3) | 0.026(4) | 0.031(5) | 0.032(4) | −0.003(4) | 0.004(3) | 0.005(4) |
C(22) | 4e | 0.8463(4) | 0.3282(9) | 0.2484(4) | 0.051(6) | 0.047(6) | 0.052(6) | −0.017(5) | 0.017(5) | −0.004(5) |
C(31) | 4e | −0.0166(4) | 0.3807(7) | 0.4502(3) | 0.051(6) | 0.019(4) | 0.032(5) | 0.003(4) | 0.005(4) | 0.002(4) |
C(32) | 4e | −0.0733(4) | 0.4024(8) | 0.4260(4) | 0.033(5) | 0.038(5) | 0.041(5) | 0.015(4) | 0.003(4) | 0.002(4) |
C(41) | 4e | 0.2776(4) | 0.2390(8) | 0.1984(4) | 0.032(5) | 0.052(6) | 0.045(5) | 0.013(5) | 0.008(4) | 0.010(5) |
C(42) | 4e | 0.2562(5) | 0.1681(8) | 0.1540(4) | 0.083(9) | 0.034(6) | 0.059(7) | 0.012(6) | 0.030(6) | 0.003(5) |
C(111) | 4e | 0.4413(4) | 0.7691(8) | 0.5783(3) | 0.029(5) | 0.041(5) | 0.035(5) | 0.012(4) | −0.011(4) | −0.008(4) |
C(112) | 4e | 0.4892(4) | 0.814(1) | 0.5916(4) | 0.035(6) | 0.079(9) | 0.054(6) | −0.002(5) | −0.005(5) | −0.032(6) |
C(113) | 4e | 0.5108(5) | 0.795(1) | 0.6426(5) | 0.034(6) | 0.12(1) | 0.060(8) | 0.015(7) | −0.016(5) | −0.041(8) |
C(114) | 4e | 0.4840(6) | 0.733(1) | 0.6765(4) | 0.074(9) | 0.12(1) | 0.032(6) | 0.032(9) | −0.025(6) | −0.021(7) |
C(115) | 4e | 0.4356(7) | 0.686(1) | 0.6626(4) | 0.12(1) | 0.09(1) | 0.037(6) | −0.013(9) | −0.013(7) | 0.013(6) |
C(116) | 4e | 0.4134(5) | 0.705(1) | 0.6135(4) | 0.067(8) | 0.083(9) | 0.031(5) | −0.022(7) | −0.023(5) | 0.015(5) |
C(121) | 4e | 0.4215(3) | 0.6464(7) | 0.4833(3) | 0.027(4) | 0.030(5) | 0.026(4) | 0.001(4) | −0.006(3) | 0.005(3) |
C(122) | 4e | 0.4618(4) | 0.6248(8) | 0.4482(3) | 0.036(5) | 0.039(6) | 0.033(5) | −0.002(4) | −0.014(4) | 0.003(4) |
C(123) | 4e | 0.4707(4) | 0.5201(8) | 0.4313(4) | 0.038(5) | 0.037(6) | 0.043(5) | 0.007(4) | 0.006(4) | −0.001(4) |
C(124) | 4e | 0.4385(4) | 0.4390(8) | 0.4496(4) | 0.042(6) | 0.039(6) | 0.045(5) | 0.004(5) | −0.005(4) | −0.007(5) |
C(125) | 4e | 0.3979(4) | 0.4597(7) | 0.4846(4) | 0.051(6) | 0.027(5) | 0.039(5) | −0.003(4) | −0.004(4) | 0.004(4) |
C(126) | 4e | 0.3897(4) | 0.5623(7) | 0.5022(4) | 0.041(5) | 0.026(5) | 0.040(5) | 0.001(4) | 0.005(4) | −0.003(4) |
C(131) | 4e | 0.3459(3) | 0.8181(6) | 0.5137(3) | 0.021(4) | 0.025(4) | 0.027(4) | −0.004(3) | −0.002(3) | 0.003(3) |
C(132) | 4e | 0.3054(3) | 0.7676(7) | 0.4836(3) | 0.033(5) | 0.033(5) | 0.033(4) | −0.003(4) | −0.004(4) | 0.004(4) |
C(133) | 4e | 0.2531(4) | 0.8084(8) | 0.4820(4) | 0.032(5) | 0.046(6) | 0.040(5) | −0.004(4) | 0.000(4) | 0.012(4) |
C(134) | 4e | 0.2418(4) | 0.9012(9) | 0.5097(4) | 0.025(5) | 0.053(7) | 0.054(6) | 0.009(4) | 0.010(4) | 0.022(5) |
C(135) | 4e | 0.2817(4) | 0.9532(8) | 0.5390(4) | 0.036(5) | 0.040(6) | 0.039(5) | 0.008(4) | 0.012(4) | 0.001(4) |
C(136) | 4e | 0.3334(4) | 0.9096(7) | 0.5412(3) | 0.035(5) | 0.035(5) | 0.036(5) | −0.001(4) | −0.005(4) | −0.006(4) |
C(211) | 4e | 0.7015(3) | 0.1419(7) | 0.2480(3) | 0.030(5) | 0.027(5) | 0.032(4) | −0.002(4) | 0.003(4) | −0.002(4) |
C(212) | 4e | 0.6951(4) | 0.1271(7) | 0.1944(3) | 0.045(6) | 0.037(5) | 0.029(4) | −0.004(4) | 0.005(4) | 0.001(4) |
C(213) | 4e | 0.6453(4) | 0.0968(8) | 0.1730(4) | 0.047(6) | 0.048(6) | 0.043(6) | −0.006(5) | −0.010(5) | 0.005(5) |
C(214) | 4e | 0.6019(4) | 0.0818(8) | 0.2055(4) | 0.038(6) | 0.042(6) | 0.062(7) | −0.007(5) | −0.014(5) | 0.004(5) |
C(215) | 4e | 0.6082(4) | 0.0946(8) | 0.2600(4) | 0.037(6) | 0.043(6) | 0.056(6) | −0.006(5) | 0.002(5) | 0.004(5) |
C(216) | 4e | 0.6576(4) | 0.1250(8) | 0.2804(4) | 0.037(5) | 0.042(6) | 0.037(5) | −0.002(4) | 0.003(4) | −0.004(4) |
C(221) | 4e | 0.7543(3) | 0.2719(7) | 0.3284(3) | 0.026(4) | 0.026(4) | 0.036(4) | −0.007(4) | 0.003(3) | 0.004(4) |
C(222) | 4e | 0.7182(4) | 0.3558(8) | 0.3218(4) | 0.031(5) | 0.045(6) | 0.039(5) | 0.005(4) | 0.009(4) | 0.006(4) |
C(223) | 4e | 0.7122(4) | 0.4324(8) | 0.3595(4) | 0.041(6) | 0.039(6) | 0.062(7) | 0.004(5) | 0.015(5) | −0.007(5) |
C(224) | 4e | 0.7436(4) | 0.4270(8) | 0.4054(4) | 0.052(6) | 0.039(6) | 0.049(6) | −0.010(5) | 0.022(5) | −0.013(5) |
C(225) | 4e | 0.7806(4) | 0.3439(8) | 0.4126(4) | 0.056(6) | 0.051(6) | 0.027(4) | −0.016(5) | 0.012(4) | −0.004(4) |
C(226) | 4e | 0.7859(4) | 0.2663(8) | 0.3742(3) | 0.045(6) | 0.044(6) | 0.025(4) | −0.003(5) | 0.011(4) | 0.000(4) |
C(231) | 4e | 0.8052(4) | 0.0692(7) | 0.2953(3) | 0.033(5) | 0.028(5) | 0.031(4) | −0.004(4) | −0.008(4) | −0.006(4) |
C(232) | 4e | 0.7846(4) | −0.0007(8) | 0.3325(4) | 0.038(5) | 0.045(6) | 0.044(5) | −0.006(5) | 0.004(4) | 0.006(5) |
C(233) | 4e | 0.8140(5) | −0.0894(9) | 0.3484(4) | 0.059(7) | 0.039(6) | 0.058(7) | −0.008(5) | −0.011(6) | 0.007(5) |
C(234) | 4e | 0.8640(5) | −0.1082(8) | 0.3282(4) | 0.068(8) | 0.030(5) | 0.052(6) | 0.008(5) | −0.032(6) | 0.002(5) |
C(235) | 4e | 0.8847(4) | −0.0394(9) | 0.2919(4) | 0.045(6) | 0.051(7) | 0.044(6) | 0.017(5) | −0.011(5) | −0.011(5) |
C(236) | 4e | 0.8554(4) | 0.0504(8) | 0.2743(4) | 0.047(6) | 0.035(5) | 0.035(5) | 0.003(4) | −0.002(4) | −0.004(4) |
C(311) | 4e | −0.0147(3) | 0.1507(7) | 0.4238(3) | 0.024(4) | 0.028(5) | 0.026(4) | −0.008(3) | −0.007(3) | 0.001(3) |
C(312) | 4e | −0.0501(3) | 0.1324(8) | 0.4635(3) | 0.029(5) | 0.043(6) | 0.026(4) | −0.006(4) | −0.001(3) | 0.002(4) |
C(313) | 4e | −0.0710(4) | 0.0306(8) | 0.4726(4) | 0.046(6) | 0.040(6) | 0.043(5) | −0.006(5) | 0.006(5) | 0.010(5) |
C(314) | 4e | −0.0571(4) | −0.0529(8) | 0.4404(4) | 0.046(6) | 0.041(6) | 0.040(5) | −0.008(5) | −0.013(4) | 0.007(5) |
C(315) | 4e | −0.0212(4) | −0.0360(8) | 0.4003(4) | 0.044(6) | 0.031(5) | 0.053(6) | 0.002(4) | −0.012(5) | −0.005(4) |
C(316) | 4e | 0.0004(4) | 0.0657(7) | 0.3917(4) | 0.033(5) | 0.022(4) | 0.044(5) | −0.004(4) | −0.001(4) | 0.003(4) |
C(321) | 4e | 0.0213(3) | 0.3203(7) | 0.3500(3) | 0.027(4) | 0.030(4) | 0.019(4) | 0.000(4) | −0.004(3) | 0.000(3) |
C(322) | 4e | 0.0497(4) | 0.4142(7) | 0.3404(3) | 0.033(5) | 0.029(5) | 0.033(4) | 0.002(4) | 0.001(4) | −0.003(4) |
C(323) | 4e | 0.0481(4) | 0.4613(8) | 0.2912(4) | 0.046(6) | 0.035(5) | 0.038(5) | 0.006(4) | 0.011(4) | 0.008(4) |
C(324) | 4e | 0.0185(4) | 0.4117(8) | 0.2511(4) | 0.040(5) | 0.050(6) | 0.034(5) | 0.017(5) | 0.008(4) | 0.013(4) |
C(325) | 4e | −0.0098(4) | 0.3184(8) | 0.2596(3) | 0.040(5) | 0.055(6) | 0.024(4) | 0.010(5) | −0.013(4) | −0.003(4) |
C(326) | 4e | −0.0096(4) | 0.2717(8) | 0.3092(3) | 0.031(5) | 0.036(5) | 0.038(5) | −0.003(4) | −0.001(4) | −0.002(4) |
C(331) | 4e | 0.0862(3) | 0.2624(7) | 0.4428(3) | 0.021(4) | 0.030(5) | 0.029(4) | −0.006(3) | −0.005(3) | 0.006(3) |
C(332) | 4e | 0.1041(4) | 0.3163(9) | 0.4871(4) | 0.045(6) | 0.056(7) | 0.036(5) | −0.009(5) | −0.005(4) | −0.007(5) |
C(333) | 4e | 0.1556(4) | 0.295(1) | 0.5071(4) | 0.041(6) | 0.10(1) | 0.030(5) | −0.013(6) | −0.017(4) | −0.004(5) |
C(334) | 4e | 0.1885(4) | 0.2215(8) | 0.4834(4) | 0.032(5) | 0.040(6) | 0.070(7) | 0.002(5) | −0.017(5) | 0.010(5) |
C(335) | 4e | 0.1709(4) | 0.1678(9) | 0.4396(5) | 0.035(6) | 0.053(7) | 0.084(8) | 0.010(5) | −0.016(6) | −0.011(6) |
C(336) | 4e | 0.1201(4) | 0.1883(8) | 0.4193(4) | 0.032(5) | 0.043(6) | 0.063(7) | 0.005(4) | −0.018(5) | −0.022(5) |
C(411) | 4e | 0.2489(4) | 0.3491(8) | 0.2953(4) | 0.048(6) | 0.032(5) | 0.038(5) | 0.004(4) | −0.006(4) | 0.008(4) |
C(412) | 4e | 0.2123(4) | 0.3650(8) | 0.3360(4) | 0.054(6) | 0.034(5) | 0.035(5) | 0.000(5) | 0.001(4) | 0.002(4) |
C(413) | 4e | 0.2316(6) | 0.3963(9) | 0.3847(4) | 0.12(1) | 0.033(6) | 0.037(6) | −0.009(7) | 0.009(7) | −0.003(5) |
C(414) | 4e | 0.2850(7) | 0.413(1) | 0.3934(5) | 0.11(1) | 0.060(8) | 0.049(7) | −0.007(8) | −0.028(8) | 0.000(6) |
C(415) | 4e | 0.3210(6) | 0.4006(9) | 0.3533(5) | 0.069(8) | 0.048(7) | 0.078(9) | −0.007(6) | −0.040(7) | 0.001(6) |
C(416) | 4e | 0.3040(4) | 0.3680(9) | 0.3039(4) | 0.049(6) | 0.047(7) | 0.059(7) | −0.004(5) | −0.020(5) | 0.006(5) |
C(421) | 4e | 0.1692(4) | 0.2199(7) | 0.2390(3) | 0.044(5) | 0.023(4) | 0.033(4) | 0.002(4) | 0.008(4) | −0.001(4) |
C(422) | 4e | 0.1244(4) | 0.2251(8) | 0.2049(4) | 0.034(5) | 0.044(6) | 0.045(5) | 0.000(4) | −0.001(4) | 0.010(5) |
C(423) | 4e | 0.0832(5) | 0.1488(9) | 0.2077(5) | 0.054(7) | 0.054(7) | 0.063(7) | −0.008(6) | −0.002(6) | 0.001(6) |
C(424) | 4e | 0.0871(5) | 0.0683(9) | 0.2433(5) | 0.064(8) | 0.037(6) | 0.080(8) | −0.021(6) | 0.027(7) | −0.013(6) |
C(425) | 4e | 0.1303(5) | 0.0618(8) | 0.2772(4) | 0.089(9) | 0.032(6) | 0.046(6) | −0.008(6) | 0.023(6) | 0.006(5) |
C(426) | 4e | 0.1717(4) | 0.1358(8) | 0.2758(4) | 0.051(6) | 0.037(6) | 0.035(5) | 0.000(5) | −0.001(4) | 0.002(4) |
C(431) | 4e | 0.2043(3) | 0.4245(7) | 0.1953(3) | 0.027(4) | 0.031(5) | 0.032(4) | −0.005(4) | 0.005(4) | −0.003(4) |
C(432) | 4e | 0.2218(3) | 0.4422(7) | 0.1448(3) | 0.031(5) | 0.029(5) | 0.030(4) | −0.001(4) | 0.003(4) | −0.004(4) |
C(433) | 4e | 0.2017(4) | 0.5311(8) | 0.1162(3) | 0.041(5) | 0.041(5) | 0.025(4) | −0.008(4) | 0.000(4) | 0.006(4) |
C(434) | 4e | 0.1672(4) | 0.6030(7) | 0.1390(3) | 0.045(6) | 0.026(5) | 0.037(5) | −0.001(4) | −0.015(4) | 0.001(4) |
C(435) | 4e | 0.1510(4) | 0.5876(8) | 0.1892(4) | 0.039(5) | 0.048(6) | 0.039(5) | 0.010(5) | −0.008(4) | −0.008(5) |
C(436) | 4e | 0.1686(4) | 0.4980(8) | 0.2171(4) | 0.042(5) | 0.044(6) | 0.031(5) | 0.006(5) | 0.001(4) | 0.004(4) |
Source of material
The compound was prepared upon dissolving CuBr2 in hot concentrated hydrobromic acid and subsequent addition of 2 equivalents of ethyltriphenylphosphonium bromide. Crystals suitable for the diffraction study were obtained upon slow cooling of the reaction mixture to room temperature.
Discussion
The crystallization of ionic compounds is strongly influenced by the relative spatial size ratio of anion to cation, and the presence of different anions may influence on the conformation and as well as metric parameters of the cation in the case of bigger, organic cations. At the beginning of a comprehensive study of the influence of various anions on bond lengths and angles among a series of tetraorgano phosphonium compounds, the title compound was synthesized. Crystal and molecular structures of several tetrachloridocuprate(II) anions with tetraorganophosphonium counterions such as tetramethylphosphonium [1], methyltriphenylphosphonium [2] or tetraphenylphosphonium [3] as well as tetrabromidocuprate(II) anions with tetraorganophosphonium counterions such as methyltriphenylphosphonium [4], tetraphenylphosphonium [4] or tetramethylphosphonium [5] are apparent in the literature.
The asymmetric unit of the title structure contains two ionic pairs. The coordination sphere around the central atoms of the cations as well as of the anion are tetrahedral with the C–P–C angles covering a range of 105.8(4)–111.6(4)° in two different cations with the smallest as well as the largest angle invariably enclosed between one of the aromatic moieties as well as the alkyl chain. The Br–Cu–Br deviate more distinctly from an ideal tetrahedral coordination environment with values found in between 96.76(5)° and 139.13(6)°. The P–C bond lengths hardly differ in between the four cations and are found in a small margin of 1.770(9)–1.798(9) Å with the shortest value apparent to an ethyl chain and the longest value established towards a phenyl group. The Cu–Br distances measured values in between 2.3659(14) Å and 2.3975(13) Å in the same anion. In comparison to other tetraorganophosphonium salts on the one hand and tetrabromidocuprate(II) salts on the other hand whose metrical parameters have been deposited with the Cambridge Structural Database [6], these values are invariably in good agreement with the most common lengths observed for the respective bonds.
In the crystal, C–H⋯Br contacts can be observed whose range falls below the sum of van-der-Waals radii of the atoms participating in them. These are supported by hydrogen atoms in ortho-, meta- and para-position to the phosphorus atom on various aromatic entities as well as one hydrogen each of a methylene and a methyl group of one of the alkyl chains as donors and only two as well as three bromido ligands as acceptors. In terms of graph-set analysis [7, 8], the descriptor for these contacts is DDDDDD on the unary level. In total, the entities of the title compound are connected to double strands along [1 0 1]. Furthermore, several potential C–H⋯π contacts are apparent in the crystal structure, however, invariably suffering from small C–H⋯π angles. The shortest intercentroid distance between two centers of gravity was measured at 3.964(5) Å and is observed between identical aromatic systems in symmetry related cations.
Acknowledgements:
The authors thank Mr David Rogers for helpful discussions.
References
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©2016 Eric C. Hosten et al., published by De Gruyter.
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Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2
- The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4
- Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2
- The crystal structure of 1,2-bis(2-pyrazinecarboxamido)-benzene, C16H12N6O2
- Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2
- Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]
- Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2
- Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2N,N′)-cobalt(II),C22H18CoN12O2
- Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
- Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S
- Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16
- Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmate(II)] bis(2-aminoisonicotinate) tetrahydrate, C38H50CdN8O10
- Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S
- Crystal structure of tetrakis(μ2-acetato-κ2O:O′)bis(2-((pyridin-4-ylmethyl)sulfanyl)pyridine-κN)dicopper(II), C30H32N4O8S2Cu2
- Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3
- Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S
- Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4
- Crystal structure of 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione, C18H13Cl2NO3
- Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd
- Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2
- The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone
- Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate
- Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
- Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
- Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
- Crystal structure of catena[diaqua-bis(μ2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2N:N′)copper(II)] dinitrate, C20H24CuN18O8
- Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
- Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2
- Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O
- Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
- Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2N,N′))bis(methanylylidene))diphenolato-κ2O′′,O′′′]zinc(II), C28H22N2O4Zn
- Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3
- Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8
- Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
- Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2
- Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12
- Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
- Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
- The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
- Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
- Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S
- Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
- Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2
- Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
- Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2N,N′)zinc(II)
- Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
- Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
- Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
- Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2
- Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13
- Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh
- The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2
- Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
- Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2N:O)barium(II), C4H10N8O6Ba
- Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3
- Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
- Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
- Crystal structure of tris(N-nitroso-N-oxyanilino-κ2O, O′) oxidoniobium(V), C18H15N6O7Nb
- Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
- Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2
- Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12
- The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
- Crystal structure of hexaquamanganese(II) bis(hexaborato-κ3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34
- Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
- Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4
- Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
- Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
- Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
- Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4
- Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
- Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
- Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
- Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
- Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
- Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
- Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
- Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
- Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
- Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
- Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
- Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
- Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
- Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
- Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
- Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
- Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
- Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
- Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
- Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
- Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
- Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
- Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
- Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
- Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
- Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
- Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
- Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
- Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
- Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
- Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
- Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
- Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2
- The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4
- Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2
- The crystal structure of 1,2-bis(2-pyrazinecarboxamido)-benzene, C16H12N6O2
- Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2
- Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]
- Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2
- Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2N,N′)-cobalt(II),C22H18CoN12O2
- Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
- Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S
- Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16
- Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmate(II)] bis(2-aminoisonicotinate) tetrahydrate, C38H50CdN8O10
- Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S
- Crystal structure of tetrakis(μ2-acetato-κ2O:O′)bis(2-((pyridin-4-ylmethyl)sulfanyl)pyridine-κN)dicopper(II), C30H32N4O8S2Cu2
- Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3
- Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S
- Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4
- Crystal structure of 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione, C18H13Cl2NO3
- Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd
- Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2
- The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone
- Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate
- Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
- Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)
- Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3
- Crystal structure of catena[diaqua-bis(μ2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2N:N′)copper(II)] dinitrate, C20H24CuN18O8
- Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
- Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2
- Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O
- Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
- Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2N,N′))bis(methanylylidene))diphenolato-κ2O′′,O′′′]zinc(II), C28H22N2O4Zn
- Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3
- Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8
- Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
- Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2
- Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12
- Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
- Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
- The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
- Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
- Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S
- Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3
- Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2
- Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2
- Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2N,N′)zinc(II)
- Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
- Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
- Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)
- Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2
- Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13
- Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh
- The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2
- Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
- Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2N:O)barium(II), C4H10N8O6Ba
- Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3
- Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6
- Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2
- Crystal structure of tris(N-nitroso-N-oxyanilino-κ2O, O′) oxidoniobium(V), C18H15N6O7Nb
- Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S
- Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2
- Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12
- The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
- Crystal structure of hexaquamanganese(II) bis(hexaborato-κ3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34
- Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
- Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4
- Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
- Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO
- Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4
- Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4
- Crystal structure of trans-bis(2-methylmaleato-κ2O,O′) bis(piperazinium-κN) cobalt(II) trihydrate, C18H36CoN4O11
- Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O
- Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5
- Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2
- Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
- Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
- Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
- Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
- Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
- Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
- Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
- Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
- Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
- Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
- Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
- Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
- Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
- Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
- Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
- Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
- Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
- Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
- Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
- Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
- Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
- Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
- Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
- Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
- Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
- Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
- Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
- Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
- Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5