Crystallography Open Database

Information card for entry 2239024

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Structure parameters

Chemical name	Chlorido[5-methoxy-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol disolvate
Formula	C46 H46 Cl Cu N2 O3 P2 S
Calculated formula	C46 H46 Cl Cu N2 O3 P2 S
SMILES	[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[S]=C1Nc2c(N1)ccc(OC)c2.OC.OC
Title of publication	Chlorido[5-methoxy-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol disolvate
Authors of publication	Meng, Qing-Xuan
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	m60
a	12.8354 ± 0.0009 Å
b	18.4979 ± 0.0017 Å
c	18.7933 ± 0.0018 Å
α	90°
β	92.839 ± 0.012°
γ	90°
Cell volume	4456.6 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.18
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.2171
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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