Crystallography Open Database

Information card for entry 4310952

Preview

Coordinates	4310952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.5 H65 Cl5 Ni2 P4 S4
Calculated formula	C76.5 H64 Cl5 Ni2 P4 S4
Title of publication	Proton Transfer to Nickel-Thiolate Complexes. 1. Protonation of [Ni(SC6H4R-4)2(Ph2PCH2CH2PPh2)] (R = Me, MeO, H, Cl, or NO2)
Authors of publication	Valerie Autissier; William Clegg; Ross W. Harrington; Richard A. Henderson
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3098 - 3105
a	13.6352 ± 0.0007 Å
b	16.5127 ± 0.0008 Å
c	18.9762 ± 0.001 Å
α	65.255 ± 0.001°
β	75.748 ± 0.001°
γ	71.427 ± 0.001°
Cell volume	3646.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310952.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310952.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310952.cif
2444	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310952 via cif-deposit CGI script.	4310952.cif