Crystallography Open Database

Information card for entry 4301631

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Coordinates	4301631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H48 Ni2 O P S2
Calculated formula	C66 H48 Ni2 O P S2
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	17.538 ± 0.004 Å
b	17.614 ± 0.003 Å
c	18.475 ± 0.004 Å
α	90°
β	108.32 ± 0.003°
γ	90°
Cell volume	5417.9 ± 1.9 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	4301631.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301631.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301631.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301631.cif