Crystallography Open Database

Information card for entry 7036953

Preview

Coordinates	7036953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Cl2 N6 Ni O8 P2 S4
Calculated formula	C48 H48 Cl2 N6 Ni O8 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	9.5352 ± 0.0003 Å
b	11.8573 ± 0.0005 Å
c	13.0288 ± 0.0006 Å
α	80.481 ± 0.002°
β	73.24 ± 0.002°
γ	76.247 ± 0.002°
Cell volume	1362.6 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171142 (current)	2015-12-09	cif/ Updating files of 7036952, 7036953, 7036954, 7036955, 7036956 Original log message: Adding full bibliography for 7036952--7036956.cif.	7036953.cif
169853	2015-10-29	cif/ Adding structures of 7036952, 7036953, 7036954, 7036955, 7036956 via cif-deposit CGI script.	7036953.cif