Crystallography Open Database

Information card for entry 7036954

Preview

Coordinates	7036954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H47 Cl2 N8 Ni O9 P2 S4
Calculated formula	C52 H36 Cl2 N8 Ni O9 P2 S4
Title of publication	Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.
Authors of publication	Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	48
Pages of publication	20808 - 20811
a	29.5398 ± 0.0018 Å
b	14.4527 ± 0.0009 Å
c	14.871 ± 0.001 Å
α	90°
β	92.55 ± 0.002°
γ	90°
Cell volume	6342.6 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2123
Residual factor for significantly intense reflections	0.1098
Weighted residual factors for significantly intense reflections	0.2648
Weighted residual factors for all reflections included in the refinement	0.3394
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7036954.cif
171142	2015-12-09	cif/ Updating files of 7036952, 7036953, 7036954, 7036955, 7036956 Original log message: Adding full bibliography for 7036952--7036956.cif.	7036954.cif
169853	2015-10-29	cif/ Adding structures of 7036952, 7036953, 7036954, 7036955, 7036956 via cif-deposit CGI script.	7036954.cif