Crystallography Open Database

Information card for entry 2203708

2203707 << 2203708 >> 2203709

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Structure parameters

Chemical name	Chloro[pyrimidine-2(1H)-thione-κS]bis(triphenylphosphine-κP)copper(I)
Formula	C40 H34 Cl Cu N2 P2 S
Calculated formula	C40 H34 Cl Cu N2 P2 S
SMILES	[Cu](Cl)([S]=C1NC=CC=N1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Chloro[pyrimidine-2(1<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphine-κ<i>P</i>)copper(I)
Authors of publication	Li, Dan; Shi, Wen-Juan; Wu, Tao; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	6
Pages of publication	m776 - m777
a	14.4631 ± 0.0008 Å
b	10.1438 ± 0.0006 Å
c	24.393 ± 0.001 Å
α	90°
β	94.564 ± 0.001°
γ	90°
Cell volume	3567.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.059
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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