Crystallography Open Database

Information card for entry 2241984

2241983 << 2241984 >> 2241985

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Structure parameters

Chemical name	Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)
Formula	C43 H37 Cl Cu N3 O2 P2 S
Calculated formula	C43 H37 Cl Cu N3 O2 P2 S
SMILES	[Cu]([S]=C(N)Nc1ccc(N(=O)=O)cc1)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)
Authors of publication	Nimthong-Roldán, Arunpatcha; Promsuwhan, Nichakan; Puetpaiboon, Walailak; Wattanakanjana, Yupa
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	1
Pages of publication	41 - 44
a	11.6986 ± 0.0001 Å
b	28.7847 ± 0.0004 Å
c	11.8471 ± 0.0001 Å
α	90°
β	106.339 ± 0.0009°
γ	90°
Cell volume	3828.28 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0495
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
189163 (current)	2016-12-17	cif/ hkl/ Adding structures of 2241984 via cif-deposit CGI script.	2241984.cif 2241984.hkl