Abstract
C52H108B20Cl2P4Zn2, monoclinic, C2/c (no. 15), a = 31.783(3) Å, b = 10.0780(10) Å, c = 24.9326(19) Å, β = 109.901(2)°, V = 7509.2(11) Å3, Z = 4, Rgt(F) = 0.0569, wRref(F2) = 0.0972, T = 298 K.
The crystal structure is shown in the figure. 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: | Yellow blocks Size 0.18 × 0.08 × 0.06 mm |
Wavelength: | Mo Kα radiation (0.71073 Å) |
μ: | 8.3 cm−1 |
Diffractometer, scan mode: | Bruker SMART, φ and ω |
2θmax, completeness: | 50°, >99% |
N(hkl)measured, N(hkl)unique, Rint: | 18590, 6558, 0.132 |
Criterion for Iobs, N(hkl)gt: | Iobs > 2 σ(Iobs), 2649 |
N(param)refined: | 362 |
Programs: | SHELX [7], Bruker programs [8] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Atom | x | y | z | Uiso*/Ueq |
---|---|---|---|---|
Zn1 | 0.30463(2) | 0.76624(7) | 0.53116(3) | 0.0388(2) |
Cl1 | 0.25360(4) | 0.59301(14) | 0.52602(5) | 0.0376(4) |
P1 | 0.34466(5) | 0.85758(15) | 0.61647(6) | 0.0319(4) |
P2 | 0.36191(5) | 0.73367(16) | 0.49798(5) | 0.0309(4) |
B1 | 0.4322(2) | 0.7336(8) | 0.6165(2) | 0.0389(18) |
H1 | 0.4193 | 0.6364 | 0.6236 | 0.047* |
B2 | 0.4501(2) | 0.8572(7) | 0.6712(3) | 0.042(2) |
H2 | 0.4503 | 0.8392 | 0.7148 | 0.051* |
B3 | 0.4356(2) | 1.0162(8) | 0.6366(3) | 0.044(2) |
H3 | 0.4265 | 1.1020 | 0.6576 | 0.053* |
B4 | 0.4094(2) | 0.9821(7) | 0.5629(3) | 0.0368(19) |
H4 | 0.3818 | 1.0436 | 0.5357 | 0.044* |
B5 | 0.4500(2) | 0.9091(7) | 0.5364(3) | 0.042(2) |
H5 | 0.4501 | 0.9255 | 0.4928 | 0.050* |
B6 | 0.4646(2) | 0.7524(8) | 0.5713(3) | 0.0431(19) |
H6 | 0.4742 | 0.6671 | 0.5505 | 0.052* |
B7 | 0.4898(2) | 0.7796(8) | 0.6463(3) | 0.048(2) |
H7 | 0.5152 | 0.7116 | 0.6736 | 0.058* |
B8 | 0.4919(2) | 0.9561(8) | 0.6568(3) | 0.051(2) |
H8 | 0.5195 | 1.0029 | 0.6911 | 0.061* |
B9 | 0.4655(2) | 1.0377(8) | 0.5893(3) | 0.049(2) |
H9 | 0.4750 | 1.1372 | 0.5793 | 0.059* |
B10 | 0.5013(2) | 0.8937(8) | 0.5969(3) | 0.051(2) |
H10 | 0.5345 | 0.9007 | 0.5927 | 0.061* |
C1 | 0.40250(18) | 0.8793(6) | 0.6143(2) | 0.0371(16) |
C2 | 0.41169(18) | 0.8138(5) | 0.5516(2) | 0.0362(16) |
C3 | 0.32592(19) | 1.0220(6) | 0.6342(2) | 0.0404(16) |
H3A | 0.3461 | 1.0494 | 0.6719 | 0.049* |
C4 | 0.32459(19) | 1.1325(6) | 0.5909(2) | 0.0434(16) |
H4A | 0.3547 | 1.1500 | 0.5910 | 0.052* |
H4B | 0.3066 | 1.1039 | 0.5528 | 0.052* |
C5 | 0.3049(2) | 1.2589(7) | 0.6061(2) | 0.0554(17) |
H5A | 0.3244 | 1.2909 | 0.6428 | 0.066* |
H5B | 0.3036 | 1.3265 | 0.5779 | 0.066* |
C6 | 0.2587(2) | 1.2383(7) | 0.6087(2) | 0.0576(18) |
H6A | 0.2382 | 1.2146 | 0.5712 | 0.069* |
H6B | 0.2482 | 1.3199 | 0.6204 | 0.069* |
C7 | 0.2598(2) | 1.1282(6) | 0.6510(2) | 0.0558(19) |
H7A | 0.2775 | 1.1570 | 0.6892 | 0.067* |
H7B | 0.2296 | 1.1111 | 0.6504 | 0.067* |
C8 | 0.27955(18) | 1.0006(6) | 0.6372(2) | 0.0418(17) |
H8A | 0.2812 | 0.9349 | 0.6663 | 0.050* |
H8B | 0.2600 | 0.9664 | 0.6009 | 0.050* |
C9 | 0.35583(18) | 0.7548(6) | 0.68182(19) | 0.0389(15) |
H9A | 0.3824 | 0.7024 | 0.6846 | 0.047* |
C10 | 0.36732(19) | 0.8267(6) | 0.7399(2) | 0.0429(17) |
H10A | 0.3914 | 0.8896 | 0.7443 | 0.052* |
H10B | 0.3414 | 0.8755 | 0.7412 | 0.052* |
C11 | 0.3814(2) | 0.7268(6) | 0.7880(2) | 0.0465(17) |
H11A | 0.4083 | 0.6815 | 0.7878 | 0.056* |
H11B | 0.3883 | 0.7725 | 0.8242 | 0.056* |
C12 | 0.3449(2) | 0.6262(6) | 0.7820(2) | 0.0576(19) |
H12A | 0.3551 | 0.5616 | 0.8125 | 0.069* |
H12B | 0.3189 | 0.6707 | 0.7854 | 0.069* |
C13 | 0.3319(2) | 0.5559(6) | 0.7252(2) | 0.0528(19) |
H13A | 0.3071 | 0.4966 | 0.7217 | 0.063* |
H13B | 0.3569 | 0.5026 | 0.7238 | 0.063* |
C14 | 0.3186(2) | 0.6530(6) | 0.6753(2) | 0.0486(17) |
H14A | 0.2913 | 0.6987 | 0.6738 | 0.058* |
H14B | 0.3127 | 0.6047 | 0.6399 | 0.058* |
C15 | 0.35554(19) | 0.8075(5) | 0.4272(2) | 0.0358(16) |
H15 | 0.3825 | 0.7889 | 0.4178 | 0.043* |
C16 | 0.34621(19) | 0.9577(6) | 0.4221(2) | 0.0416(16) |
H16A | 0.3204 | 0.9773 | 0.4332 | 0.050* |
H16B | 0.3718 | 1.0050 | 0.4476 | 0.050* |
C17 | 0.3373(2) | 1.0041(6) | 0.3611(2) | 0.0542(18) |
H17A | 0.3309 | 1.0984 | 0.3585 | 0.065* |
H17B | 0.3638 | 0.9895 | 0.3509 | 0.065* |
C18 | 0.2981(2) | 0.9297(7) | 0.3198(2) | 0.062(2) |
H18A | 0.2935 | 0.9593 | 0.2812 | 0.075* |
H18B | 0.2711 | 0.9497 | 0.3283 | 0.075* |
C19 | 0.3061(2) | 0.7800(7) | 0.3237(2) | 0.0584(19) |
H19A | 0.2798 | 0.7345 | 0.2987 | 0.070* |
H19B | 0.3312 | 0.7585 | 0.3116 | 0.070* |
C20 | 0.31566(18) | 0.7349(6) | 0.3845(2) | 0.0440(16) |
H20A | 0.3217 | 0.6403 | 0.3870 | 0.053* |
H20B | 0.2893 | 0.7497 | 0.3950 | 0.053* |
C21 | 0.38465(19) | 0.5631(5) | 0.4955(2) | 0.0349(15) |
H21 | 0.4062 | 0.5464 | 0.5337 | 0.042* |
C22 | 0.41062(19) | 0.5435(6) | 0.4540(2) | 0.0444(17) |
H22A | 0.3904 | 0.5525 | 0.4151 | 0.053* |
H22B | 0.4336 | 0.6111 | 0.4608 | 0.053* |
C23 | 0.4321(2) | 0.4070(6) | 0.4623(3) | 0.0569(19) |
H23A | 0.4545 | 0.4017 | 0.5001 | 0.068* |
H23B | 0.4471 | 0.3942 | 0.4347 | 0.068* |
C24 | 0.3975(2) | 0.2966(6) | 0.4555(2) | 0.0568(19) |
H24A | 0.3777 | 0.2935 | 0.4161 | 0.068* |
H24B | 0.4128 | 0.2118 | 0.4645 | 0.068* |
C25 | 0.3703(2) | 0.3189(5) | 0.4940(2) | 0.0478(18) |
H25A | 0.3894 | 0.3086 | 0.5334 | 0.057* |
H25B | 0.3469 | 0.2523 | 0.4859 | 0.057* |
C26 | 0.34870(19) | 0.4585(6) | 0.4858(2) | 0.0411(16) |
H26A | 0.3272 | 0.4666 | 0.4475 | 0.049* |
H26B | 0.3329 | 0.4711 | 0.5126 | 0.049* |
Source of material
The ligand 1,2-(PCy2)2-1,2-C2B10H10, was synthesized according to the literature method [1]. By the reaction of ZnCl2 (1 mmol) and 1,2-(PCy2)2-1,2-C2B10H10 in chloromethane (10 mL) under N2 atmosphere. The mixture was refluxed for 4 h, then a colourless solution formed. Single crystals were obtained by slow evaporation of a dichloromethane/n-hexane solution. Yield: (48.9%, m.p. 463–472 K). FTIR (KBr) v (cm−l): 2989, 2966, 2930, 2872 (C—H); 2614, 2602, 2585, 2556 (B—H); 1071 (C—P).
Experimental details
All H atoms were placed geometrically and treated as riding on their parent atoms, with B—H 1.10, C—H 0.96, with Uiso(H) = 1.2Ueq(B), Uiso(H) = 1.5Ueq(C).
Discussion
The title complex shows a crystallographically imposed inversion symmetry (A = −x, y, 1/2−z. Comparison of the configuration of the free ligand 1,2-(PCy2)2-1,2-(C2B10H10): the P1—C1—C2—P2 torsion angle is 10.9(4)° in the free ligand [2, 3], whereas coordinated to Zn, this torsion angle is largely altered with the value 0.0(2) in the title complex. The two Cc—Cc—P angles in the free ligand is 113.48(5)° for C(2)—C(1)—P(1) and C(1)—C(2)—P(2), while these two angles in the title complex tend to become equivalent to each other (115.38 and 115.56°) [4, 5]. These data show that the symmetry of the moiety 1,2-(PCy2)2-1,2-(C2B10H10) in the three complexes has a tendency to approach C2v symmetry. The average bond lengths of C—P in the complexes (1.872(3) Å) are similar with the corresponding distance 1.894(3) Å in 1,2-(PCy2)2-1,2-(C2B10H10), indicating that the coordinating to the metal atom has no influence on this distance [6].
Acknowledgements:
This work was supported by the Key Scientific Research Projects of Colleges and Universities, Henan Province (Nos. 16A150001, 16A430012) and the Research Fund of Anyang Institute of Technology (Nos. YJJ2015021, YJJ2015022).
References
1. Su, F. F.; Dou, J. M.; Li, D. C.; Wang, D. Q.: 1,2-Bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane. Acta Crystallogr. E63 (2007) o3335.10.1107/S1600536807030553Search in Google Scholar
2. Dou, D. M.; Zhang, D. P.; Li, D. C.; Wang, D. Q.: Two type skeleton heterobimetallic trinuclear Cu-Mo-S clusters containing closo carborane diphosphine ligand 1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane. Inorg. Chem. Comm. 9 (2006) 1109–1102.10.1016/j.inoche.2006.07.006Search in Google Scholar
3. Dou, D. M.; Zhang, D. P.; Zhu, Y. H.; Li, D. C.; Wang, D. Q.: Synthesis and characterization of two types of skeleton heterobimetallictrinuclear Mo(W)-C-S clusters containing 1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane. Polyhedron 26 (2007) 4216–4222.10.1016/j.poly.2007.05.030Search in Google Scholar
4. Dou, D. M.; Su, F. F.; Nie, Y.; Li, D. C.; Wang, D. Q.: Self-assembled 2D supramolecular networks of copper(I) carborane complexes through C—H⋯H—B dihydrogen bonding interactions. Dalton. Trans. 31 (2008) 4152–4156.10.1039/b801339jSearch in Google Scholar PubMed
5. Dou, D. M.; Zhang, D. P.; Gong, S. W.; Li, D. C.; Wang, D. Q.: Synthesis and characterization of three dinuclear copper(I) complexes of 1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane. Appl. Organometal. Chem. 20 (2006) 632–637.10.1002/aoc.1119Search in Google Scholar
6. Yang, L. G.; Zhu, C. C.; Zhang, D. D.; Li, D. C.; Wang, D. Q.; Dou, D. M.: S1D and 2D supramolecular structures of silver carborane dicyclohexylphosphine complexes constructed by C—H⋯H—B dihydrogen bonding interactions. Polyhedron 30 (2011) 1469–1477.10.1016/j.poly.2011.02.052Search in Google Scholar
7. Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Search in Google Scholar PubMed
8. Bruker. APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, WI, USA, 2009.Search in Google Scholar
©2016 Wang Xin et al., published by De Gruyter.
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
Articles in the same Issue
- Cover and Frontmatter
- Editorial
- Twenty years of crystal structure publication and the road ahead
- Crystal Structures
- Crystal structure of poly-[triaqua-(μ4-5′-carboxy-[1,1′-biphenyl]-2,3,3′-tricarboxylate-κ6O1,O2:O3,O4:O5:O6)praseodymium(III), C16H13O11Pr
- Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3
- Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4
- Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine
- Crystal structure of 11-(p-coumaroyloxy)-tremetone, C22H20O5
- The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd
- Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2
- Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C29H25FN6S
- Crystal structure of poly-[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7
- Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6
- Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2
- Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S
- Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S
- Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O
- Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S
- Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3
- Crystal structure of 2-amino-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C18H18N2O5
- Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C14H16N2
- Crystal structure of bis(2,6-dihydroxymethyl)pyridine-κ3N,O,O′)-bis(μ2-6-chloropyridin-2-olato-κ3N,O:O)-bis(6-chloropyridin-2-olato-κO)-bis(nitrato-κ2O,O′)digadolinium(III), C34H30Cl4Gd2N8O14
- Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C19H27NO3
- Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C19H14N2O4S
- Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ2P,P′)-(benzoato-κ2O,O′)nickel(II), C21H42B9NiO2P2
- Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3
- Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2
- Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S
- Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2
- Crystal structure of di-μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2
- Crystal structure of dibromido-bis[μ-1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κN]mercury(II), C30H26Br2HgN10
- Crystal structure of bis(μ-nitrato-κ2O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2
- Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2−)]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6
- Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C16H18MnN8O8
- Crystal structure of (Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden-1-one, C12H6F6O3
- Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C7H10Cl2N2O2
- Crystal structure of 2-amino-4-(4-chloro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13ClN2O2
- Crystal structure of (E)-1-(2-(thiophen-2-ylmethylene)hydrazinyl)phthalazine hydrochloride–ethanol (1/1), C15H17ClN4OS
- Crystal structure of N,N-diethyl-5-bromo-3,4-dihydro-2,4-dioxopyrimidine-1(2H)-carboxamide, C9H12BrN3O3
- Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2
- Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S
- Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H11BrN2O3
- Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C21H25NO3
- Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3
- Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12
- Crystal structure of catena-poly-{aqua-[μ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene-κ2N:N′]-[μ2-4,4′-(dimethylsilanediyl)dibenzato-κ3O,O′:O′]nickel(II)}, C30H30N4NiO5Si
- The crystal structure of 1-(4-bromophenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanol, C18H20BrFN2O1
- Crystal structure of trimethylammonium 4-((4-carboxyphenyl)sulfonyl)benzoate, C17H19NO6S
- Crystal structure of syn-2,4-di-o-tolylpentane-2,4-diol, C19H24O2
- Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C15H7BrF6N2OS2
- Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C17H12N2O3
- Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4
- Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II), C14H24N8Pd2
- Crystal structure of 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid monohydrate, C5H7NO4S2
- Crystal structure of a P4-bridged (η5-pentamethyl-cyclopentadienyl)(η5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2
- Crystal structure of cis-bis(2,2′-bipyrimidine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C18H12N10NiS2
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)dibromidomanganese(II), C20H16Br2MnN4
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C22H16N6NiS2
- Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni
- Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C10H10Br4N2Pt
- Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2
- The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O
Articles in the same Issue
- Cover and Frontmatter
- Editorial
- Twenty years of crystal structure publication and the road ahead
- Crystal Structures
- Crystal structure of poly-[triaqua-(μ4-5′-carboxy-[1,1′-biphenyl]-2,3,3′-tricarboxylate-κ6O1,O2:O3,O4:O5:O6)praseodymium(III), C16H13O11Pr
- Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3
- Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4
- Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine
- Crystal structure of 11-(p-coumaroyloxy)-tremetone, C22H20O5
- The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd
- Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2
- Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C29H25FN6S
- Crystal structure of poly-[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7
- Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6
- Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2
- Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S
- Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S
- Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O
- Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S
- Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3
- Crystal structure of 2-amino-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C18H18N2O5
- Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C14H16N2
- Crystal structure of bis(2,6-dihydroxymethyl)pyridine-κ3N,O,O′)-bis(μ2-6-chloropyridin-2-olato-κ3N,O:O)-bis(6-chloropyridin-2-olato-κO)-bis(nitrato-κ2O,O′)digadolinium(III), C34H30Cl4Gd2N8O14
- Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C19H27NO3
- Crystal structure of 1-methyl-3-[((naphthalen-2-ylsulfonyl)oxy)imino]indolin-2-one, C19H14N2O4S
- Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ2P,P′)-(benzoato-κ2O,O′)nickel(II), C21H42B9NiO2P2
- Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3
- Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2
- Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S
- Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoro phosphate), C14H24F12N4P2
- Crystal structure of di-μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2
- Crystal structure of dibromido-bis[μ-1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κN]mercury(II), C30H26Br2HgN10
- Crystal structure of bis(μ-nitrato-κ2O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ2P,P′]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2
- Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2−)]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6
- Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C16H18MnN8O8
- Crystal structure of (Z)-6-methoxy-2-(2,2,2-trifluoro-1-hydroxyethylidene)-2,3-dihydro-1H-inden-1-one, C12H6F6O3
- Crystal Structure of 4-(2-chloroacetamido)pyridinium chloride monohydrate, C7H10Cl2N2O2
- Crystal structure of 2-amino-4-(4-chloro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13ClN2O2
- Crystal structure of (E)-1-(2-(thiophen-2-ylmethylene)hydrazinyl)phthalazine hydrochloride–ethanol (1/1), C15H17ClN4OS
- Crystal structure of N,N-diethyl-5-bromo-3,4-dihydro-2,4-dioxopyrimidine-1(2H)-carboxamide, C9H12BrN3O3
- Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2
- Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S
- Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H11BrN2O3
- Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C21H25NO3
- Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3
- Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12
- Crystal structure of catena-poly-{aqua-[μ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene-κ2N:N′]-[μ2-4,4′-(dimethylsilanediyl)dibenzato-κ3O,O′:O′]nickel(II)}, C30H30N4NiO5Si
- The crystal structure of 1-(4-bromophenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanol, C18H20BrFN2O1
- Crystal structure of trimethylammonium 4-((4-carboxyphenyl)sulfonyl)benzoate, C17H19NO6S
- Crystal structure of syn-2,4-di-o-tolylpentane-2,4-diol, C19H24O2
- Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C15H7BrF6N2OS2
- Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C17H12N2O3
- Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4
- Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanopalladate(II), C14H24N8Pd2
- Crystal structure of 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid monohydrate, C5H7NO4S2
- Crystal structure of a P4-bridged (η5-pentamethyl-cyclopentadienyl)(η5-adamantylcyclopentadienyl) titanium(III)complex, C50H66P4Ti2
- Crystal structure of cis-bis(2,2′-bipyrimidine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C18H12N10NiS2
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)dibromidomanganese(II), C20H16Br2MnN4
- Crystal structure of cis-bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C22H16N6NiS2
- Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni
- Crystal structure of cis-tetrabromidobis(pyridine-κN)platinum(IV), C10H10Br4N2Pt
- Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2
- The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O