Crystallography Open Database

Information card for entry 4301629

Preview

Coordinates	4301629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 Ni2 P2 S2
Calculated formula	C66 H76 Ni2 P2 S2
SMILES	[P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Ni]12[S](c3c(cc(cc3C(C)C)C(C)C)C(C)C)[Ni]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes
Authors of publication	Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2215 - 2223
a	11.896 ± 0.003 Å
b	25.328 ± 0.006 Å
c	9.995 ± 0.003 Å
α	90°
β	109.086 ± 0.003°
γ	90°
Cell volume	2846 ± 1.3 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.7107 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.	4301629.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301629.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301629.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301629.cif