Crystallography Open Database

Information card for entry 7036956

Preview

Coordinates	7036956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 N O8 P S
Calculated formula	C20 H20 Cl2 N O8 P S
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	12.0439 ± 0.0007 Å
b	11.1901 ± 0.0007 Å
c	17.4924 ± 0.0015 Å
α	90°
β	102.248 ± 0.002°
γ	90°
Cell volume	2303.8 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7036956.html