Abstract
C29H28O5PRe, triclinic, P1̄ (no. 2), a = 12.733(7) Å, b = 18.668(11) Å, c = 24.779(15) Å, α = 101.442(20)°, β = 100.844(18)°, γ = 104.240(19)°, V = 5419(9) Å3, Z = 8, Rgt(F) = 0.0307, wRref(F2) = 0.0772, T = 100 K.

One representative complex is shown (Z′ = 4) n = A, B, C, D and n′ = 1–4 for the four respective molecules. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Data collection and handling.
| Crystal: | Colourless cuboid |
| Size: | 0.44 × 0.34 × 0.24 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 45.8 cm−1 |
| Diffractometer, scan mode: | Bruker APEX-II, φ and ω |
| 2θmax, completeness: | 56.6°, >99% |
| N(hkl)measured, N(hkl)unique, Rint: | 108469, 26855, 0.068 |
| Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 22905 |
| N(param)refined: | 1298 |
| Programs: | Bruker programs [1], SHELX [2], SIR97 [3], DIAMOND [4], ORTEP [5] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | x | y | z | Uiso*/Ueq |
|---|---|---|---|---|
| C1A | 0.8610(3) | 0.4638(2) | 0.06053(15) | 0.0215(7) |
| C1B | 0.1405(3) | 0.1967(2) | 0.21517(15) | 0.0236(8) |
| C1C | 0.7777(3) | −0.09041(19) | 0.24114(14) | 0.0175(7) |
| C1D | 1.3331(3) | −0.3686(2) | 0.40066(15) | 0.0211(7) |
| C2A | 0.6893(3) | 0.36545(19) | 0.08047(14) | 0.0196(7) |
| C2B | 0.2517(3) | 0.1190(2) | 0.27255(15) | 0.0216(7) |
| C2C | 0.8896(3) | −0.1711(2) | 0.29682(14) | 0.0211(7) |
| C2D | 1.1544(3) | −0.4750(2) | 0.39997(15) | 0.0228(7) |
| C3A | 0.6554(3) | 0.4456(2) | 0.00131(15) | 0.0268(8) |
| C3B | 0.0652(3) | 0.0409(2) | 0.18988(15) | 0.0248(8) |
| C3C | 0.9625(3) | −0.0141(2) | 0.32562(16) | 0.0265(8) |
| C3D | 1.3439(3) | −0.4620(2) | 0.47095(16) | 0.0277(8) |
| C4A | 0.4951(3) | 0.1825(2) | −0.11948(15) | 0.0239(8) |
| H4A1 | 0.4616 | 0.168 | −0.0893 | 0.036* |
| H4A2 | 0.5169 | 0.1397 | −0.1392 | 0.036* |
| H4A3 | 0.4406 | 0.1954 | −0.1466 | 0.036* |
| C4B | 0.3412(3) | −0.0594(2) | 0.11076(16) | 0.0304(9) |
| H4B1 | 0.3706 | −0.0645 | 0.1488 | 0.046* |
| H4B2 | 0.4034 | −0.0427 | 0.0937 | 0.046* |
| H4B3 | 0.2909 | −0.1088 | 0.087 | 0.046* |
| C4C | 0.8849(3) | −0.0739(2) | 0.50317(15) | 0.0294(8) |
| H4C1 | 0.9265 | −0.1114 | 0.4973 | 0.044* |
| H4C2 | 0.8208 | −0.0949 | 0.5177 | 0.044* |
| H4C3 | 0.9341 | −0.0268 | 0.5307 | 0.044* |
| C4D | 1.1549(3) | −0.4244(3) | 0.61471(18) | 0.0382(10) |
| H4D1 | 1.0942 | −0.4692 | 0.5909 | 0.057* |
| H4D2 | 1.1235 | −0.3884 | 0.636 | 0.057* |
| H4D3 | 1.2058 | −0.4405 | 0.6414 | 0.057* |
| C5A | 0.5970(3) | 0.2509(2) | −0.09391(14) | 0.0201(7) |
| C5B | 0.2779(3) | −0.00123(19) | 0.11499(15) | 0.0212(7) |
| C5C | 0.8442(3) | −0.0566(2) | 0.44757(15) | 0.0233(7) |
| C5D | 1.2181(3) | −0.3860(2) | 0.57760(16) | 0.0265(8) |
| C6A | 0.6577(3) | 0.2819(2) | −0.12914(15) | 0.0251(8) |
| H6A | 0.6321 | 0.2581 | −0.1687 | 0.03* |
| C6B | 0.2288(3) | 0.0162(2) | 0.06637(15) | 0.0252(8) |
| H6B | 0.2358 | −0.0112 | 0.0312 | 0.03* |
| C6C | 0.7827(3) | −0.0041(2) | 0.44570(14) | 0.0251(8) |
| H6C | 0.7693 | 0.0189 | 0.4805 | 0.03* |
| C6D | 1.3086(3) | −0.3203(2) | 0.60350(15) | 0.0292(9) |
| H6D | 1.3247 | −0.3024 | 0.6437 | 0.035* |
| C7A | 0.7527(3) | 0.3448(2) | −0.11150(15) | 0.0238(8) |
| C7B | 0.1699(3) | 0.0702(2) | 0.06393(15) | 0.0226(7) |
| C7C | 0.7394(3) | 0.01749(19) | 0.39798(15) | 0.0213(7) |
| C7D | 1.3768(3) | −0.2789(2) | 0.57595(15) | 0.0230(7) |
| C8A | 0.8099(3) | 0.3691(2) | −0.15599(15) | 0.0345(9) |
| H8A1 | 0.875 | 0.414 | −0.1377 | 0.052* |
| H8A2 | 0.7573 | 0.382 | −0.1841 | 0.052* |
| H8A3 | 0.8343 | 0.3272 | −0.175 | 0.052* |
| C8B | 0.1227(3) | 0.0833(2) | 0.00765(15) | 0.0310(9) |
| H8B1 | 0.0846 | 0.1227 | 0.0136 | 0.047* |
| H8B2 | 0.0693 | 0.0356 | −0.0171 | 0.047* |
| H8B3 | 0.1836 | 0.1001 | −0.0103 | 0.047* |
| C8C | 0.6729(3) | 0.0743(2) | 0.40238(16) | 0.0305(9) |
| H8C1 | 0.649 | 0.0831 | 0.3649 | 0.046* |
| H8C2 | 0.7196 | 0.1227 | 0.4292 | 0.046* |
| H8C3 | 0.6069 | 0.0539 | 0.4159 | 0.046* |
| C8D | 1.4706(3) | −0.2093(2) | 0.61028(16) | 0.0298(8) |
| H8D1 | 1.5109 | −0.1866 | 0.5849 | 0.045* |
| H8D2 | 1.5221 | −0.2239 | 0.6377 | 0.045* |
| H8D3 | 1.44 | −0.172 | 0.6307 | 0.045* |
| C11A | 0.9796(3) | 0.34911(19) | 0.10138(14) | 0.0184(7) |
| C11B | 0.4316(3) | 0.30111(19) | 0.24776(14) | 0.0200(7) |
| C11C | 0.6094(3) | −0.28057(19) | 0.26070(14) | 0.0182(7) |
| C11D | 1.0342(3) | −0.35206(19) | 0.36933(14) | 0.0187(7) |
| C12A | 1.0891(3) | 0.3813(2) | 0.10062(16) | 0.0268(8) |
| H12A | 1.1102 | 0.375 | 0.0656 | 0.032* |
| C12B | 0.5157(3) | 0.3609(2) | 0.24207(16) | 0.0284(8) |
| H12B | 0.544 | 0.3547 | 0.2091 | 0.034* |
| C12C | 0.5417(3) | −0.3467(2) | 0.26843(15) | 0.0251(8) |
| H12C | 0.5171 | −0.3451 | 0.3024 | 0.03* |
| C12D | 0.9190(3) | −0.36788(19) | 0.36152(14) | 0.0206(7) |
| H12D | 0.8889 | −0.3555 | 0.3932 | 0.025* |
| C13A | 1.1686(3) | 0.4230(2) | 0.15099(16) | 0.0310(9) |
| H13A | 1.2436 | 0.4448 | 0.1497 | 0.037* |
| C13B | 0.5586(3) | 0.4291(2) | 0.28400(16) | 0.0286(8) |
| H13B | 0.6156 | 0.4693 | 0.2792 | 0.034* |
| C13C | 0.5098(3) | −0.4150(2) | 0.22671(16) | 0.0275(8) |
| H13C | 0.464 | −0.4596 | 0.2329 | 0.033* |
| C13D | 0.8478(3) | −0.4015(2) | 0.30800(15) | 0.0255(8) |
| H13D | 0.7693 | −0.4117 | 0.3035 | 0.031* |
| C14A | 1.1414(3) | 0.4334(2) | 0.20260(15) | 0.0269(8) |
| C14B | 0.5196(3) | 0.4400(2) | 0.33298(15) | 0.0259(8) |
| C14C | 0.5428(3) | −0.4200(2) | 0.17632(15) | 0.0242(8) |
| C14D | 0.8887(3) | −0.4207(2) | 0.26055(15) | 0.0248(8) |
| C15A | 1.0309(3) | 0.4013(2) | 0.20307(16) | 0.0288(8) |
| H15A | 1.01 | 0.4076 | 0.2381 | 0.035* |
| C15B | 0.4352(3) | 0.3804(2) | 0.33813(15) | 0.0261(8) |
| H15B | 0.4065 | 0.3866 | 0.3709 | 0.031* |
| C15C | 0.6112(3) | −0.3530(2) | 0.16883(15) | 0.0258(8) |
| H15C | 0.6355 | −0.3546 | 0.1348 | 0.031* |
| C15D | 1.0049(3) | −0.4030(2) | 0.26833(15) | 0.0270(8) |
| H15D | 1.0351 | −0.4144 | 0.2365 | 0.032* |
| C16A | 0.9516(3) | 0.3607(2) | 0.15361(15) | 0.0245(8) |
| H16A | 0.8763 | 0.3402 | 0.1549 | 0.029* |
| C16B | 0.3920(3) | 0.3118(2) | 0.29634(15) | 0.0240(8) |
| H16B | 0.3347 | 0.2718 | 0.301 | 0.029* |
| C16C | 0.6434(3) | −0.2851(2) | 0.21032(14) | 0.0218(7) |
| H16C | 0.6899 | −0.2406 | 0.2044 | 0.026* |
| C16D | 1.0752(3) | −0.3697(2) | 0.32123(15) | 0.0246(8) |
| H16D | 1.1537 | −0.3582 | 0.3255 | 0.03* |
| C17A | 1.2290(3) | 0.4776(3) | 0.25685(17) | 0.0427(11) |
| H17A | 1.1944 | 0.4794 | 0.289 | 0.064* |
| H17B | 1.2619 | 0.5297 | 0.2544 | 0.064* |
| H17C | 1.2877 | 0.4523 | 0.2624 | 0.064* |
| C17B | 0.5686(4) | 0.5141(2) | 0.37821(17) | 0.0384(10) |
| H17D | 0.5317 | 0.5121 | 0.4094 | 0.058* |
| H17E | 0.5574 | 0.5563 | 0.3621 | 0.058* |
| H17F | 0.6489 | 0.5223 | 0.3927 | 0.058* |
| C17C | 0.5085(3) | −0.4945(2) | 0.13160(17) | 0.0352(9) |
| H17G | 0.5391 | −0.4866 | 0.0991 | 0.053* |
| H17H | 0.4266 | −0.5135 | 0.1191 | 0.053* |
| H17I | 0.5373 | −0.532 | 0.1475 | 0.053* |
| C17D | 0.8114(3) | −0.4596(3) | 0.20221(16) | 0.0390(10) |
| H17J | 0.8558 | −0.4681 | 0.1746 | 0.059* |
| H17K | 0.7656 | −0.4271 | 0.1913 | 0.059* |
| H17L | 0.7626 | −0.5088 | 0.2029 | 0.059* |
| C21A | 0.8087(3) | 0.20825(18) | 0.05539(13) | 0.0177(7) |
| C21B | 0.5125(3) | 0.17775(19) | 0.20704(14) | 0.0185(7) |
| C21C | 0.5145(3) | −0.16280(19) | 0.29751(13) | 0.0167(7) |
| C21D | 1.1984(3) | −0.21424(19) | 0.43085(14) | 0.0191(7) |
| C22A | 0.8785(3) | 0.1720(2) | 0.08264(14) | 0.0228(7) |
| H22A | 0.9573 | 0.1946 | 0.0934 | 0.027* |
| C22B | 0.6087(3) | 0.2137(2) | 0.19256(15) | 0.0241(8) |
| H22B | 0.6072 | 0.252 | 0.1725 | 0.029* |
| C22C | 0.4135(3) | −0.2079(2) | 0.30319(15) | 0.0221(7) |
| H22C | 0.4127 | −0.2515 | 0.3176 | 0.026* |
| C22D | 1.3141(3) | −0.1799(2) | 0.44813(14) | 0.0205(7) |
| H22D | 1.3615 | −0.2063 | 0.4644 | 0.025* |
| C23A | 0.8321(3) | 0.1028(2) | 0.09390(15) | 0.0282(8) |
| H23A | 0.8802 | 0.0783 | 0.1122 | 0.034* |
| C23B | 0.7067(3) | 0.1943(2) | 0.20693(16) | 0.0266(8) |
| H23B | 0.7712 | 0.2194 | 0.1964 | 0.032* |
| C23C | 0.3148(3) | −0.1897(2) | 0.28808(14) | 0.0226(7) |
| H23C | 0.2476 | −0.2207 | 0.2928 | 0.027* |
| C23D | 1.3601(3) | −0.1078(2) | 0.44170(15) | 0.0247(8) |
| H23D | 1.4389 | −0.0854 | 0.4539 | 0.03* |
| C24A | 0.7168(3) | 0.0682(2) | 0.07908(15) | 0.0261(8) |
| C24B | 0.7122(3) | 0.1387(2) | 0.23663(15) | 0.0232(7) |
| C24C | 0.3122(3) | −0.1269(2) | 0.26605(14) | 0.0219(7) |
| C24D | 1.2938(3) | −0.0676(2) | 0.41784(15) | 0.0240(8) |
| C25A | 0.6485(3) | 0.1056(2) | 0.05262(15) | 0.0238(8) |
| H25A | 0.5697 | 0.0833 | 0.0425 | 0.029* |
| C25B | 0.6158(3) | 0.1026(2) | 0.25096(15) | 0.0236(8) |
| H25B | 0.6175 | 0.0643 | 0.271 | 0.028* |
| C25C | 0.4115(3) | −0.0827(2) | 0.25981(14) | 0.0218(7) |
| H25C | 0.4112 | −0.0399 | 0.2446 | 0.026* |
| C25D | 1.1787(3) | −0.1022(2) | 0.40055(15) | 0.0267(8) |
| H25D | 1.1315 | −0.076 | 0.3839 | 0.032* |
| C26A | 0.6929(3) | 0.1743(2) | 0.04071(14) | 0.0213(7) |
| H26A | 0.6445 | 0.1985 | 0.0225 | 0.026* |
| C26B | 0.5172(3) | 0.12169(19) | 0.23653(14) | 0.0199(7) |
| H26B | 0.4525 | 0.0964 | 0.2468 | 0.024* |
| C26C | 0.5121(3) | −0.0996(2) | 0.27539(14) | 0.0205(7) |
| H26C | 0.5792 | −0.0681 | 0.271 | 0.025* |
| C26D | 1.1312(3) | −0.1744(2) | 0.40712(15) | 0.0247(8) |
| H26D | 1.0524 | −0.1966 | 0.3953 | 0.03* |
| C27A | 0.6670(4) | −0.0067(2) | 0.09175(19) | 0.0398(10) |
| H27A | 0.7272 | −0.0244 | 0.1103 | 0.06* |
| H27B | 0.6238 | −0.0447 | 0.0562 | 0.06* |
| H27C | 0.6177 | 0.0004 | 0.117 | 0.06* |
| C27B | 0.8192(3) | 0.1181(2) | 0.25245(17) | 0.0336(9) |
| H27D | 0.8774 | 0.1491 | 0.2388 | 0.05* |
| H27E | 0.8065 | 0.0638 | 0.235 | 0.05* |
| H27F | 0.8432 | 0.1281 | 0.2939 | 0.05* |
| C27C | 0.2042(3) | −0.1082(2) | 0.24890(17) | 0.0325(9) |
| H27G | 0.1433 | −0.1455 | 0.2564 | 0.049* |
| H27H | 0.188 | −0.1104 | 0.2083 | 0.049* |
| H27I | 0.2111 | −0.0568 | 0.2708 | 0.049* |
| C27D | 1.3449(3) | 0.0108(2) | 0.41083(18) | 0.0358(10) |
| H27J | 1.2856 | 0.0303 | 0.3936 | 0.054* |
| H27K | 1.3965 | 0.0077 | 0.3863 | 0.054* |
| H27L | 1.386 | 0.0454 | 0.4481 | 0.054* |
| C31A | 0.9373(3) | 0.26878(19) | −0.01782(14) | 0.0183(7) |
| C31B | 0.3794(3) | 0.23526(19) | 0.12813(14) | 0.0188(7) |
| C31C | 0.6471(3) | −0.21734(19) | 0.37949(13) | 0.0167(7) |
| C31D | 1.0556(3) | −0.2951(2) | 0.49070(14) | 0.0199(7) |
| C32A | 0.9962(3) | 0.3251(2) | −0.03973(15) | 0.0221(7) |
| H32A | 1.0011 | 0.3771 | −0.025 | 0.027* |
| C32B | 0.3264(3) | 0.2901(2) | 0.11822(15) | 0.0247(8) |
| H32B | 0.2953 | 0.3129 | 0.1466 | 0.03* |
| C32C | 0.7144(3) | −0.2628(2) | 0.39317(14) | 0.0229(8) |
| H32C | 0.7578 | −0.2776 | 0.3681 | 0.028* |
| C32D | 0.9880(3) | −0.3586(2) | 0.50176(15) | 0.0240(8) |
| H32D | 0.9767 | −0.4082 | 0.4785 | 0.029* |
| C33A | 1.0476(3) | 0.3056(2) | −0.08286(15) | 0.0256(8) |
| H33A | 1.0883 | 0.3445 | −0.097 | 0.031* |
| C33B | 0.3185(3) | 0.3117(2) | 0.06750(15) | 0.0261(8) |
| H33B | 0.2828 | 0.3497 | 0.0619 | 0.031* |
| C33C | 0.7193(3) | −0.2869(2) | 0.44278(15) | 0.0250(8) |
| H33C | 0.7652 | −0.3184 | 0.4511 | 0.03* |
| C33D | 0.9370(3) | −0.3501(2) | 0.54645(16) | 0.0298(9) |
| H33D | 0.8893 | −0.394 | 0.5526 | 0.036* |
| C34A | 1.0403(3) | 0.2292(2) | −0.10578(15) | 0.0236(8) |
| C34B | 0.3616(3) | 0.2788(2) | 0.02480(15) | 0.0219(7) |
| C34C | 0.6575(3) | −0.2653(2) | 0.48048(14) | 0.0211(7) |
| C34D | 0.9544(3) | −0.2788(3) | 0.58233(16) | 0.0335(10) |
| C35A | 0.9801(3) | 0.1736(2) | −0.08430(15) | 0.0234(7) |
| H35A | 0.973 | 0.1214 | −0.0998 | 0.028* |
| C35B | 0.4101(3) | 0.2219(2) | 0.03401(15) | 0.0246(8) |
| H35B | 0.4381 | 0.1974 | 0.005 | 0.03* |
| C35C | 0.5952(3) | −0.2163(2) | 0.46820(14) | 0.0221(7) |
| H35C | 0.5557 | −0.1987 | 0.4944 | 0.026* |
| C35D | 1.0192(3) | −0.2157(3) | 0.57058(16) | 0.0336(9) |
| H35D | 1.03 | −0.1662 | 0.594 | 0.04* |
| C36A | 0.9301(3) | 0.19315(19) | −0.04068(14) | 0.0198(7) |
| H36A | 0.8904 | 0.1542 | −0.0263 | 0.024* |
| C36B | 0.4185(3) | 0.2000(2) | 0.08456(14) | 0.0212(7) |
| H36B | 0.4514 | 0.1605 | 0.0895 | 0.025* |
| C36C | 0.5896(3) | −0.1927(2) | 0.41858(14) | 0.0198(7) |
| H36C | 0.5463 | −0.1594 | 0.4111 | 0.024* |
| C36D | 1.0694(3) | −0.2230(2) | 0.52489(15) | 0.0274(8) |
| H36D | 1.1129 | −0.1787 | 0.5173 | 0.033* |
| C37A | 1.0964(3) | 0.2081(2) | −0.15229(16) | 0.0343(9) |
| H37A | 1.1346 | 0.2545 | −0.1618 | 0.052* |
| H37B | 1.0401 | 0.1737 | −0.186 | 0.052* |
| H37C | 1.1511 | 0.1824 | −0.1393 | 0.052* |
| C37B | 0.3565(3) | 0.3052(2) | −0.02864(16) | 0.0317(9) |
| H37D | 0.3193 | 0.3455 | −0.0269 | 0.048* |
| H37E | 0.3142 | 0.2621 | −0.0614 | 0.048* |
| H37F | 0.4326 | 0.3254 | −0.0326 | 0.048* |
| C37C | 0.6571(3) | −0.2946(2) | 0.53295(16) | 0.0331(9) |
| H37G | 0.7054 | −0.3281 | 0.5346 | 0.05* |
| H37H | 0.5806 | −0.3234 | 0.5315 | 0.05* |
| H37I | 0.6852 | −0.2513 | 0.5668 | 0.05* |
| C37D | 0.9076(4) | −0.2705(3) | 0.63470(17) | 0.0485(13) |
| H37J | 0.8639 | −0.321 | 0.6362 | 0.073* |
| H37K | 0.8593 | −0.237 | 0.6327 | 0.073* |
| H37L | 0.9694 | −0.2483 | 0.669 | 0.073* |
| O1A | 0.9307(2) | 0.51703(14) | 0.08670(11) | 0.0319(6) |
| O1B | 0.0997(2) | 0.24427(17) | 0.22686(12) | 0.0380(7) |
| O1C | 0.74866(19) | −0.08874(14) | 0.19430(10) | 0.0232(5) |
| O1D | 1.3778(2) | −0.35750(15) | 0.36545(10) | 0.0276(6) |
| O2A | 0.6562(2) | 0.35904(14) | 0.12002(10) | 0.0274(6) |
| O2B | 0.2779(2) | 0.12048(16) | 0.32028(11) | 0.0310(6) |
| O2C | 0.9300(2) | −0.21903(15) | 0.28540(11) | 0.0296(6) |
| O2D | 1.0945(2) | −0.52600(15) | 0.36482(11) | 0.0323(6) |
| O3A | 0.6113(3) | 0.49184(19) | −0.00153(13) | 0.0492(9) |
| O3B | −0.0171(2) | −0.00089(16) | 0.18877(12) | 0.0359(7) |
| O3C | 1.0441(2) | 0.03077(16) | 0.32850(13) | 0.0388(7) |
| O3D | 1.3856(2) | −0.51004(18) | 0.47353(13) | 0.0425(8) |
| O4A | 0.61673(18) | 0.27630(13) | −0.03988(9) | 0.0191(5) |
| O4B | 0.27709(19) | 0.02853(14) | 0.16623(10) | 0.0209(5) |
| O4C | 0.87074(19) | −0.09210(14) | 0.40541(10) | 0.0228(5) |
| O4D | 1.1838(2) | −0.41809(15) | 0.52454(10) | 0.0242(6) |
| O5A | 0.79732(19) | 0.38462(14) | −0.06084(10) | 0.0207(5) |
| O5B | 0.1534(2) | 0.11241(14) | 0.10691(10) | 0.0229(5) |
| O5C | 0.74901(19) | −0.00613(14) | 0.34744(10) | 0.0217(5) |
| O5D | 1.37022(18) | −0.29578(14) | 0.52267(10) | 0.0211(5) |
| P1A | 0.86810(7) | 0.29695(5) | 0.03730(4) | 0.01593(17) |
| P2B | 0.38580(7) | 0.20841(5) | 0.19499(4) | 0.01696(17) |
| P3C | 0.64372(7) | −0.18889(5) | 0.31314(4) | 0.01565(17) |
| P4D | 1.13523(7) | −0.30956(5) | 0.43782(4) | 0.01733(17) |
| Re1A | 0.742490(10) | 0.375516(7) | 0.014352(5) | 0.01548(4) |
| Re2B | 0.205511(11) | 0.116401(8) | 0.194413(6) | 0.01708(4) |
| Re3C | 0.822697(10) | −0.092164(8) | 0.318269(5) | 0.01607(4) |
| Re4D | 1.258990(11) | −0.391199(8) | 0.458099(6) | 0.01742(4) |
Source of materials
The starting complex fac-[Re(CO)3(H2O)(acac)] was prepared according to a published procedure [1]. fac-[Re(Acac)(CO)3(H2O)] (39 mg; 0.1 mmol) was dissolved in methanol (3 mL) and P(p-tolyl)3 (31 mg; 0.1 mmol) dissolved in 3 mL methanol was added. The solution was stirred for 8 hours at room temperature and then left to crystallize. Yield = 49 mg, 72%. IR (KBr, cm−1): νCO = 2020, 1887.
Experimental details
In the structure all the H atoms were positioned geometrically and refined discemible using a riding model, with C—Hmethine = 0.98 Å; C—Hmethyl = 0.96 Å; C—Haromatic = 0.93 Å. The H atom isotropic displacement parameters were fixed; Uiso(H) = 1.2Ueq(C) for aromatic and methine and Uiso(H) = 1.5Ueq(C) for methyl protons, allowing them to ride on the parent atom.
Comment
In recent years, rhenium has become one of the most studied transition metals due to the development of the fac-[Re(CO)3(H2O)3]+ cation, which bears the possibility of developing radiopharmaceuticals. The coordinated β-diketone type ligand, acetylacetone (Acac), is one of the most frequently used ligands to coordinate to the fac-[Re(CO)3]+ synthon, because the possibility exists to link biomolecules to its backbone. The main reason for the use of a phosphine ligand is because they form robust bonds with organometallic fragments. This study is part of a investigation where the electronic and steric properties of the mono- and bidentate ligands are altered and coordinated to various transition metals to explore their chelating behaviour and reactivity [6], [7], [8], [9], [10], [11], [12], [13].
The title complex, fac-[Re(Acac)(CO)3(P(p-tolyl)3)] crystallizes with eight formula units in the unit cell (Z = 8) and the asymmetric unit contains four independent Re(I) complexes (A, B, C and D). The structure displays a typical octahedral geometry with the rhenium centre surrounded by three facial carbonyl ligands, a β-diketonato ligand and a monodentate tri(p-tolyl)phosphine ligand [14], [15], [16], [17], [18], [19], [20]. All four crystallographically independent complexes display distortion in its octahedral geometry, which is evident from the P1A-Re1A-C3A (174.45(12)°), P2B-Re2B-C3B (176.71(10)°), P3C-Re3C-C3C (177.44(11)°) and P4D-Re4D-C3D (175.15(12)°) bond angles. Intra- and intermolecular C—H⋯O interactions contribute to the supramolecular aggregation.
Acknowledgement
Financial assistance from the University of the Free State is gratefully acknowledged. We also express our gratitude towards NTeMBI, PETLabs Pharmaceuticals, SASOL and the South African National Research Foundation (SA-NRF/THRIP) and Prof A. Roodt. This work is based on the research supported in part by the National Research Foundations of South-Africa and the Thuthuka programme (Grant specific unique reference numbers (UID) 84913 and 94142).
References
Bruker. SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA, (2004).Suche in Google Scholar
Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Suche in Google Scholar PubMed
Altomare, A.; Burla, M. C.; Camalli, M.; Cascarano, G. L.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Polidori, G.; Spagna, R.: SIR97: a new tool for crystal structure determination and refinement. J. Appl. Crystallogr. 32 (1999) 115–119.10.1107/S0021889898007717Suche in Google Scholar
Brandenburg, K.; Putz, H.: DIAMOND. Visual crystal structure information system. Version 3.2i. Crystal Impact, Bonn, Germany, (2012).Suche in Google Scholar
Farrugia, L. J.: WinGX and ORTEP for Windows: an update. J. Appl. Crystallogr. 45 (2012) 849–854.10.1107/S0021889812029111Suche in Google Scholar
Manicum, A.; Schutte-Smith, M.; Kemp, G.; Visser, H. G.: Illustration of the electronic influence of coordinated β-diketone type ligands: A kinetic and structural study. Polyhedron 85 (2015) 190–195.10.1016/j.poly.2014.08.005Suche in Google Scholar
Manicum, A.; Schutte-Smith, M.; Visser, H. G.; Pretorius, C.; Roodt, A.: Crystal structure of fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re, Z. Kristallogr. -NCS 231 (2016) 263–266.10.1515/ncrs-2015-0115Suche in Google Scholar
Visser, H. G.; Roodt, A.; Volmink, A.; Kemp, G.: fac-Tricarbonyl-(pyridine-κN)(1,1,1-trifluoroacetylacetone-κ2O,O′)-rhenium(I). Acta Crystallogr. E67 (2011) m1631–m1631.10.1107/S160053681104476XSuche in Google Scholar PubMed PubMed Central
Schutte, M.; Roodt, A.; Visser, H. G.: Coordinated aqua vs methanol substitution kinetics in fac-Re(I) tricarbonyl tropolonato complexes. Inorg. Chem. 51 (2012) 11996–12006.10.1021/ic301891uSuche in Google Scholar PubMed
Schutte, M.; Kemp, G.; Visser, H. G.; Roodt, A.: Tuning the reactivity in classic low-spin d6 rhenium(I) tricarbonyl radiopharmaceutical synthon by selective bidentate ligand variation (L,L′-Bid; L,L′ = N,N′, N,O and O,O′ donor atom sets) in fac-[Re(CO)3(L,L′-Bid)(MeOH)]n complexes. Inorg. Chem. 50 (2011) 12486–12498.10.1021/ic2013792Suche in Google Scholar PubMed
Brink, A.; Visser, H. G.; Roodt, A.: Novel imino rhenium(I) tricarbonyl complexes of salicylidene-derived ligands: Synthesis, X-ray crystallographic studies, spectroscopic characterization and DFT calculations. Polyhedron 52 (2013) 416–423.10.1016/j.poly.2012.08.059Suche in Google Scholar
Riondato, M.; Camporese, D.; Martín, D.; Suades, J.; Alvarez-Larena, A.; Mazzi, U.: Synthesis and characterisation of [Re(CO)3(SS)(P)] complexes: a [2 + 1] concept for 99mTc- and 188Re-radiopharmaceutical applications. Eur. J. Inorg. Chem. 44 (2005) 4048–4055.10.1002/ejic.200500247Suche in Google Scholar
Marmion, M. E.; Woulfe, S. R.; Neumann, W. L.; Nosco, D. L.; Deutsch, E.: Complexes of technetium-99g and -99m with substituted acac2en and trialkyl phosphines (where acac2en = N,N′-ethylenebis[acetylacetone iminato]). Nucl. Med. Biol. 26 (1999) 755–770.10.1016/S0969-8051(99)00040-2Suche in Google Scholar
Manicum, A.; Visser, H. G.; Engelbrecht, I.; Roodt, A.: Crystal structure of fac-(acetylacetonato-κ2O,O′) tricarbonyl(cyclohexyldiphenylphosphine-κP) rhenium(I), C26H28O5PRe, Z. Kristallogr. -NCS 230 (2015) 150–152.10.1515/ncrs-2014-9013Suche in Google Scholar
Brink, A.; Visser, H. G.; Roodt, A.: Tetraethylammonium (acetylacetonenato)bromidotricarbonylrhenate(I). Acta Crystallogr. E67 (2011) m34–m35.10.1107/S1600536810050105Suche in Google Scholar PubMed PubMed Central
Benny, P. D.; Fugate, G. A.; Barden, A. O.; Morley, J. E.; Silva-Lopez, E.; Twamley, B.: Metal-assisted in situ formation of a tridentate acetylacetone ligand for complexation of fac-Re(CO)3+ for radiopharmaceutical applications. Inorg. Chem. Comm. 47 (2008) 2240–2242.10.1021/ic701996eSuche in Google Scholar PubMed
Sagnou, M.; Tsoukalas, C.; Triantis, C.; Raptopoulou, C. P.; Terzis, A.; Pirmettis, I.; Pelecanou, M.; Papadopoulos, M.: A new tricarbonyl fac-[M(acac)(isc)(CO)3] complex (M = Re, 99mTc) with acetylacetonate (acac) and isocyanide (isc) in a 2 + 1 combination. Inorg. Chim. Acta 363 (2010) 1649–1653.10.1016/j.ica.2010.01.004Suche in Google Scholar
Triantis, C.; Tsotakos, T.; Tsoukalas, C.; Sagnou, M.; Raptopoulou, C.; Terzis, A.; Psycharis, V.; Pelecanou, M.; Pirmettis, I.; Papadopoulos, M.: Synthesis and characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)(OO)] complexes (M = Re, 99mTc) with acetylacetone and curcumin as OO donor bidentate ligands. Inorg. Chem. 52 (2013) 12995–13003.10.1021/ic401503bSuche in Google Scholar PubMed
Papagiannopoulou, D.; Triantis, C.; Vassileiadis, V.; Raptopoulou, C. P.; Psycharis, V.; Terzis, A.; Pirmettis, I.; Papadopoulous, M. S.: Synthesis, structural characterisation and radiochemistry of di- and tricarbonyl Re(I) and 99mTc(I) complexes with 8-hydroxy quinolone or 8-mercaptoquinoline and triphenylphosphine. Polyhedron 68 (2014) 46–52.10.1016/j.poly.2013.09.039Suche in Google Scholar
Vassileiadis, V.; Triantis, C.; Raptopoulou, C. P.; Psycharis, V.; Pirmettis, I.; Papadopoulous, M. S.; Papagiannopoulou, D.: Synthesis, structural characterisation and radiochemistry of ‘2 + 1’ fac-[99mTc/Re(CO)3(L)(2-mercaptopyridine)] complexes, where L is phosphine or isocyanide. Polyhedron 81 (2014) 511–516.10.1016/j.poly.2014.07.008Suche in Google Scholar
©2017 Amanda-Lee Manicum et al., published by De Gruyter, Berlin/Boston
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of potassium 1-methyl-1H-1,2,3,4-tetrazole-5-thiolate, C2H3N4SK
- Crystal structure of bis(3-(3-ethylureido)-N,N-dimethylpropan-1-aminium) bis (μ3-2-(hydroxymethyl)-2-(oxidomethyl)propane-1,3-bis(olato))-(μ6-oxo)-hexakis(μ2-oxo)-hexaoxo-hexavanadium(V) – dichloromethane (1/1), C27H60Cl2N6O23V6
- Crystal structure of bis(μ3-methanolato-κ3O:O:O)-bis(μ2-methanolato-κ2O:O)-dimethanol-bis{6,6′-(1,3-dihydroxyl-2-acetylpropane-1,3-diyl)bis(2-chloro-4-bromophenolato)}tetramanganese(III) C40H40Br4Cl4Mn4O16
- Synthesis and crystal structure of tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dibromo-2-oxidophenyl)propane-1,3-bis(olato)-κ5O1,O2,O3:O3,O4,O5)tetramanganese(III), C40H40Br8Mn4O16
- Synthesis and crystal structure tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dichloro-2-oxidophenyl)propane-1,3-bis(olato)-κ5O1,O2,O3:O3,O4,O5), tetramanganese(III), C40H40Cl8Mn4O16
- Crystal structure of bis{5-methoxy-2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O)}copper(II), C34H34CuN4O6
- Crystal structure of (E)-1-(2-hydroxy-3-{[2-hydroxybenzylidene]amino}phenyl)ethan-1-one, C15H13NO3
- Crystal structure of bis(μ2-acetato-κ2O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6O:O,N,N′,O′′:O′′}tricobalt(II), C44H49Cl2Co3N6O12
- Crystal structure of bis{μ2-2,4-dichloro-6-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ5O:O,N,N′,O′}dicobalt(II) acetone solvate, C43H48Br4Co2N6O9
- Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6O:O,N,N′,O′:O′}trizinc(II), C44H49Cl2N6O12Zn3
- Crystal structure of bis{5-(N,N′-diethylamine)-5′-methoxy -2,2′-[ethylenediyldioxybis(nitrilomethylidyne)]diphenolato}-bis(μ2-acetato-κ2O:O′)trizinc(II), C46H56Zn3N6O14
- Crystal structure of tris(cyano-(hydrogen tris(3,5-dimethylpyrazolyl)borate))-iron(III) 4-methoxypyridinium monohydrate, C24H32BN10O2Fe
- Synthesis and crystal structure of bis{1-(((4-(1-(hydroxyimino)ethyl)phenyl)imino)methyl)naphthalen-2-olato-κ2O,N}copper(II), C38H30CuN4O4
- Crystal structure of (E)-1-(4-{[(E)-2-Hydroxy-1-naphthalenylmethylene] amino}phenyl)ethanone oxime, C19H16N2O2
- The pseudosymmetric crystal structure of 2-(2-naphthalenyl)-3-nitro-2H-1-benzopyran, C38H26N2O6
- Crystal structure of 2-benzoyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarbonitrile, C19H14N2O2
- N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5
- The crystal structure of carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato-κ2N,O]-(triphenylphosphine-κP)rhodium(I), RhC30H25Cl2NO2P
- Crystal structure of (E)-5-(diethylamino)-2-(((1,1,2-trihydroxyethyl)iminio)methyl)phenolate, C15H24N2O4
- Crystal structure of poly[(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)(μ2-isophthalato-κ4O,O′:O′′,O′′′)cadmium(II)], C34H30N4O4Cd
- Crystal structure of 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]chinolizinium 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate - methanol - water (1/1/1), C36H33NO10
- A single crystal study on 2-(methylcarbamoyl)benzoic acid, C9H9NO3
- Crystal structure of the salt 1,1′-(ethane-1,2-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) diperchlorate, C14H28N4(ClO4)2
- Crystal structure of 2,5-bis((E)-2-(trifluoromethyl)benzylidene)cyclopentan-1-one, C21H14F6O
- Crystal structure of catena-poly[(μ2-benzene-1,4-dicarboxylato-κ2O:O′)-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)zinc(II)] 1.25 hydrate, C25H26.5N3O8.25FZn
- Crystal structure of 1-methyl-1,4-diazabicyclo[2.2.2]octan-1-ium poly[aqua-bis(μ2-perchlorato-κ3O,O′:O′′)sodium], C7H17Cl2N2NaO9
- Crystal structure of trimethyammonium 2,6-dicarboxyisonicotinate monohydrate, C11H16N2O7
- Crystal structure of dodecaguanidinium bis(tetrapropylammonium) heptacarbonate, C43H128N38O21
- Crystal structure of poly[tetraaqua-bis(μ6-benzene-1,2,4,5-tetracarboxylato)nickel(II)diyttrium(III)]dihydrate, C20H16NiO22Y2
- Halogen bonds and π–π interactions in the crystal structure of 1,3,5-trifluoro-2,4,6-triiodobenzene–N,N-dimethylformamide (1/1), C9H7F3I3NO
- Crystal structure of guanidinium tetraethylammonium carbonate dihydrate, C10H30N4O5
- The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn
- Crystal structure of 8-((E)-((4-((E)-1-((benzyloxy)imino)ethyl)phenyl)imino)methyl)-7-hydroxy-4-methyl-2H-chromen-2-one, C26H22N2O4
- Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2O,N}copper(II), C40H38CuN4O6
- Crystal structure of fac-(acetylacetonato-κ2O,O′)tricarbonyl(tri(p-tolyl)phosphine-κP)rhenium(I), C29H28O5PRe
- Crystal structure of fac-(acetylacetonato-κ2O,O′)tricarbonyl(benzyldiphenylphosphine-κP)rhenium(I), C27H24O5PRe
- Crystal structure of triethylammonium bis{3-(((3-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ3O,N,O′}manganese(III), C46H38MnN3O8
- Crystal structure of bis(N,N,N-ethyldimethylethanaminium) bis(heptaselenido-κ2Se1,Se7)palladate(II), C12H32N2PdSe14
- Crystal structure of bis(4-(1H-pyrazol-5-yl)pyridine-κ2N:N′)-bis(2-(2-((2,6-difluorophenyl)amino)phenyl)acetate-κO)cadmium(II), C44H34N8CdCl4O4
- Crystal structure of 4,4′-(1,4-phenylene)bis(pyridin-1-ium) catena-poly[diaqua-bis(μ2-3′,5′-dicarboxy-[1,1′-biphenyl]-2,5-dicarboxylato-κ2O:O′] dihydrate, C48H42O22N2Ca
- The crystal structure of (S)-2-benzylsuccinic acid, C11H12O4
- Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:O′)yttrium(III)], C26H17N2O9Y
- Crystal structure of ethyl 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate, C14H17N3O2
- Crystal structure of tetrakis(methanol-κO)-bis{μ2-3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olate-κ4O,N;O′:O′}dizinc(II), C38H38Zn2N2O14
- Crystal structure of bromido(4,4′-dimethoxy-2,2′-bipyridine-κ2N,N′)(isopropyl(diphenyl)phosphane-κP)copper(I), C27H29BrCuN2O2P
- Crystal structure of bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)-9,9-dioctylfluorene, C41H64B2O4
- Crystal structure of 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde - a julolidine derivative, C16H15NO3
- Crystal structure of 1,3-dimethyl-5,5-dibenzylbarbituric acid, C20H20N2O3
- Crystal structure of bis(N,N,N-trimethylethanaminium) poly[bis(μ2-heptaselenido-κ2Se1,Se7)palladate(II)], C10H28N2PdSe14
- Crystal structure of 1-{4-[(5-Chloro-2-hydroxy-benzylidene)amino]phenyl} ethanone O-ethyl-oxime, C17H17ClN2O2
- The crystal structure of methyl N-(4-bromophenyl)carbamate, C8H8BrNO2
- Synthesis and crystal structure of 1-{4-[(2-hydroxy-benzylidene)amino]phenyl}ethanone oxime, C15H14N2O2
- Crystal structure of 1,1′-butanebis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C12H20F12N4P2
- (E)-N-benzylidene-3-(benzylthio)-5-p-tolyl-4H-1,2,4-triazol-4-amine, C23H20N4S
- Crystal structure of ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate, C11H12N4O2
- Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine - a Z′ = 3 structure, C19H18B2F3N2
- The crystal structure of the Matrine derivative: 12-(1H-indol-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one hydrate, C23H29N3O
- The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dilutetium(III), C50H38F18Lu2O16
- The crystal structure of (Z)-2-(3-(2-(4-chlorobenzoyl)hydrazono)-2-oxoindolin-1-yl) acetic acid, C17H12ClN3O4
- Synthesis and crystal structure of trans-tetraqua-bis(2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetato-κO)cobalt(II) hexahydrate, C36H48CoN2O28S2
- The crystal structure of N,N-dimethyl-2,6-di-p-tolylpyrimidin-4-amine, C20H21N3
- The crystal structure (E)-4-methyl-N′-(2-nitrobenzylidene)benzenesulfonohydrazide, C14H13N3O4S
- Crystal structure of catena-poly[(μ2-1,3-bis(benzimidazol-1-yl)propane κ2N:N′)-(μ2-5-methoxyisophthalato-κ2O:O′)zinc(II)] hydrate, C26H24ZnN4O6
- The crystal structure of (E)-N′-(quinolin-2-ylmethylene)furan-2-carbohydrazide monohydrate, C15H13N3O3
- Crystal structure of 2,8-diphenyl-3,7,9-trioxa-1-azaspiro[4.5]dec-1-ene, C18H17N1O3
- Crystal structure of diethyl 2-(4-chlorophenyl)-1,3-dioxane-5,5-dicarboxylate, C16H19ClO6
- Crystal structure of 1-(carboxymethyl)-1H-benzo[d][1,2,3]triazole 3-oxide, C8H7N3O3
- Crystal structure of (acetylacetonato-κ2O,O′)-(2-amino-6-chlorobenzoato-κO)-oxido(1,10-phenanthroline-κ2N,N′)vanadium(IV) – trichloromethane (1/1)
- Crystal structure of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one, C17H12Cl2O
- The crystal structure of trans-dibromido-bis(pyridine-κN)platinum(II), C10H10Br2N2Pt
Artikel in diesem Heft
- Cover and Frontmatter
- Crystal structure of potassium 1-methyl-1H-1,2,3,4-tetrazole-5-thiolate, C2H3N4SK
- Crystal structure of bis(3-(3-ethylureido)-N,N-dimethylpropan-1-aminium) bis (μ3-2-(hydroxymethyl)-2-(oxidomethyl)propane-1,3-bis(olato))-(μ6-oxo)-hexakis(μ2-oxo)-hexaoxo-hexavanadium(V) – dichloromethane (1/1), C27H60Cl2N6O23V6
- Crystal structure of bis(μ3-methanolato-κ3O:O:O)-bis(μ2-methanolato-κ2O:O)-dimethanol-bis{6,6′-(1,3-dihydroxyl-2-acetylpropane-1,3-diyl)bis(2-chloro-4-bromophenolato)}tetramanganese(III) C40H40Br4Cl4Mn4O16
- Synthesis and crystal structure of tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dibromo-2-oxidophenyl)propane-1,3-bis(olato)-κ5O1,O2,O3:O3,O4,O5)tetramanganese(III), C40H40Br8Mn4O16
- Synthesis and crystal structure tetrakis(μ2-methanolato)-dimethanol-bis(μ2-2-acetyl-1,3-bis(3,5-dichloro-2-oxidophenyl)propane-1,3-bis(olato)-κ5O1,O2,O3:O3,O4,O5), tetramanganese(III), C40H40Cl8Mn4O16
- Crystal structure of bis{5-methoxy-2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O)}copper(II), C34H34CuN4O6
- Crystal structure of (E)-1-(2-hydroxy-3-{[2-hydroxybenzylidene]amino}phenyl)ethan-1-one, C15H13NO3
- Crystal structure of bis(μ2-acetato-κ2O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6O:O,N,N′,O′′:O′′}tricobalt(II), C44H49Cl2Co3N6O12
- Crystal structure of bis{μ2-2,4-dichloro-6-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ5O:O,N,N′,O′}dicobalt(II) acetone solvate, C43H48Br4Co2N6O9
- Synthesis and crystal structure of bis(μ2-acetato-κ2O:O′)-bis{μ2-4-chloro-2-(8-(4-(diethylamino)-2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenolato-κ6O:O,N,N′,O′:O′}trizinc(II), C44H49Cl2N6O12Zn3
- Crystal structure of bis{5-(N,N′-diethylamine)-5′-methoxy -2,2′-[ethylenediyldioxybis(nitrilomethylidyne)]diphenolato}-bis(μ2-acetato-κ2O:O′)trizinc(II), C46H56Zn3N6O14
- Crystal structure of tris(cyano-(hydrogen tris(3,5-dimethylpyrazolyl)borate))-iron(III) 4-methoxypyridinium monohydrate, C24H32BN10O2Fe
- Synthesis and crystal structure of bis{1-(((4-(1-(hydroxyimino)ethyl)phenyl)imino)methyl)naphthalen-2-olato-κ2O,N}copper(II), C38H30CuN4O4
- Crystal structure of (E)-1-(4-{[(E)-2-Hydroxy-1-naphthalenylmethylene] amino}phenyl)ethanone oxime, C19H16N2O2
- The pseudosymmetric crystal structure of 2-(2-naphthalenyl)-3-nitro-2H-1-benzopyran, C38H26N2O6
- Crystal structure of 2-benzoyl-3-(4-methoxyphenyl)cyclopropane-1,1-dicarbonitrile, C19H14N2O2
- N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5
- The crystal structure of carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato-κ2N,O]-(triphenylphosphine-κP)rhodium(I), RhC30H25Cl2NO2P
- Crystal structure of (E)-5-(diethylamino)-2-(((1,1,2-trihydroxyethyl)iminio)methyl)phenolate, C15H24N2O4
- Crystal structure of poly[(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)(μ2-isophthalato-κ4O,O′:O′′,O′′′)cadmium(II)], C34H30N4O4Cd
- Crystal structure of 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]chinolizinium 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate - methanol - water (1/1/1), C36H33NO10
- A single crystal study on 2-(methylcarbamoyl)benzoic acid, C9H9NO3
- Crystal structure of the salt 1,1′-(ethane-1,2-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) diperchlorate, C14H28N4(ClO4)2
- Crystal structure of 2,5-bis((E)-2-(trifluoromethyl)benzylidene)cyclopentan-1-one, C21H14F6O
- Crystal structure of catena-poly[(μ2-benzene-1,4-dicarboxylato-κ2O:O′)-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato-κ2O,O′)zinc(II)] 1.25 hydrate, C25H26.5N3O8.25FZn
- Crystal structure of 1-methyl-1,4-diazabicyclo[2.2.2]octan-1-ium poly[aqua-bis(μ2-perchlorato-κ3O,O′:O′′)sodium], C7H17Cl2N2NaO9
- Crystal structure of trimethyammonium 2,6-dicarboxyisonicotinate monohydrate, C11H16N2O7
- Crystal structure of dodecaguanidinium bis(tetrapropylammonium) heptacarbonate, C43H128N38O21
- Crystal structure of poly[tetraaqua-bis(μ6-benzene-1,2,4,5-tetracarboxylato)nickel(II)diyttrium(III)]dihydrate, C20H16NiO22Y2
- Halogen bonds and π–π interactions in the crystal structure of 1,3,5-trifluoro-2,4,6-triiodobenzene–N,N-dimethylformamide (1/1), C9H7F3I3NO
- Crystal structure of guanidinium tetraethylammonium carbonate dihydrate, C10H30N4O5
- The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn
- Crystal structure of 8-((E)-((4-((E)-1-((benzyloxy)imino)ethyl)phenyl)imino)methyl)-7-hydroxy-4-methyl-2H-chromen-2-one, C26H22N2O4
- Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2O,N}copper(II), C40H38CuN4O6
- Crystal structure of fac-(acetylacetonato-κ2O,O′)tricarbonyl(tri(p-tolyl)phosphine-κP)rhenium(I), C29H28O5PRe
- Crystal structure of fac-(acetylacetonato-κ2O,O′)tricarbonyl(benzyldiphenylphosphine-κP)rhenium(I), C27H24O5PRe
- Crystal structure of triethylammonium bis{3-(((3-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ3O,N,O′}manganese(III), C46H38MnN3O8
- Crystal structure of bis(N,N,N-ethyldimethylethanaminium) bis(heptaselenido-κ2Se1,Se7)palladate(II), C12H32N2PdSe14
- Crystal structure of bis(4-(1H-pyrazol-5-yl)pyridine-κ2N:N′)-bis(2-(2-((2,6-difluorophenyl)amino)phenyl)acetate-κO)cadmium(II), C44H34N8CdCl4O4
- Crystal structure of 4,4′-(1,4-phenylene)bis(pyridin-1-ium) catena-poly[diaqua-bis(μ2-3′,5′-dicarboxy-[1,1′-biphenyl]-2,5-dicarboxylato-κ2O:O′] dihydrate, C48H42O22N2Ca
- The crystal structure of (S)-2-benzylsuccinic acid, C11H12O4
- Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:O′)yttrium(III)], C26H17N2O9Y
- Crystal structure of ethyl 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate, C14H17N3O2
- Crystal structure of tetrakis(methanol-κO)-bis{μ2-3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olate-κ4O,N;O′:O′}dizinc(II), C38H38Zn2N2O14
- Crystal structure of bromido(4,4′-dimethoxy-2,2′-bipyridine-κ2N,N′)(isopropyl(diphenyl)phosphane-κP)copper(I), C27H29BrCuN2O2P
- Crystal structure of bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)-9,9-dioctylfluorene, C41H64B2O4
- Crystal structure of 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde - a julolidine derivative, C16H15NO3
- Crystal structure of 1,3-dimethyl-5,5-dibenzylbarbituric acid, C20H20N2O3
- Crystal structure of bis(N,N,N-trimethylethanaminium) poly[bis(μ2-heptaselenido-κ2Se1,Se7)palladate(II)], C10H28N2PdSe14
- Crystal structure of 1-{4-[(5-Chloro-2-hydroxy-benzylidene)amino]phenyl} ethanone O-ethyl-oxime, C17H17ClN2O2
- The crystal structure of methyl N-(4-bromophenyl)carbamate, C8H8BrNO2
- Synthesis and crystal structure of 1-{4-[(2-hydroxy-benzylidene)amino]phenyl}ethanone oxime, C15H14N2O2
- Crystal structure of 1,1′-butanebis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C12H20F12N4P2
- (E)-N-benzylidene-3-(benzylthio)-5-p-tolyl-4H-1,2,4-triazol-4-amine, C23H20N4S
- Crystal structure of ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate, C11H12N4O2
- Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine - a Z′ = 3 structure, C19H18B2F3N2
- The crystal structure of the Matrine derivative: 12-(1H-indol-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one hydrate, C23H29N3O
- The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2O,O′)dilutetium(III), C50H38F18Lu2O16
- The crystal structure of (Z)-2-(3-(2-(4-chlorobenzoyl)hydrazono)-2-oxoindolin-1-yl) acetic acid, C17H12ClN3O4
- Synthesis and crystal structure of trans-tetraqua-bis(2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetato-κO)cobalt(II) hexahydrate, C36H48CoN2O28S2
- The crystal structure of N,N-dimethyl-2,6-di-p-tolylpyrimidin-4-amine, C20H21N3
- The crystal structure (E)-4-methyl-N′-(2-nitrobenzylidene)benzenesulfonohydrazide, C14H13N3O4S
- Crystal structure of catena-poly[(μ2-1,3-bis(benzimidazol-1-yl)propane κ2N:N′)-(μ2-5-methoxyisophthalato-κ2O:O′)zinc(II)] hydrate, C26H24ZnN4O6
- The crystal structure of (E)-N′-(quinolin-2-ylmethylene)furan-2-carbohydrazide monohydrate, C15H13N3O3
- Crystal structure of 2,8-diphenyl-3,7,9-trioxa-1-azaspiro[4.5]dec-1-ene, C18H17N1O3
- Crystal structure of diethyl 2-(4-chlorophenyl)-1,3-dioxane-5,5-dicarboxylate, C16H19ClO6
- Crystal structure of 1-(carboxymethyl)-1H-benzo[d][1,2,3]triazole 3-oxide, C8H7N3O3
- Crystal structure of (acetylacetonato-κ2O,O′)-(2-amino-6-chlorobenzoato-κO)-oxido(1,10-phenanthroline-κ2N,N′)vanadium(IV) – trichloromethane (1/1)
- Crystal structure of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one, C17H12Cl2O
- The crystal structure of trans-dibromido-bis(pyridine-κN)platinum(II), C10H10Br2N2Pt