Crystallography Open Database

Information card for entry 4301635

Preview

Coordinates	4301635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H49 N2 Ni S
Calculated formula	C45 H49 N2 Ni S
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	12.5951 ± 0.0016 Å
b	19.079 ± 0.002 Å
c	32.223 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7743.2 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179054 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16.	4301635.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301635.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301635.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301635.cif