Crystallography Open Database

Information card for entry 4081326

Preview

Coordinates	4081326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Co O P3 S
Calculated formula	C16 H32 Co O P3 S
SMILES	C1(=O)c2ccccc2S[CoH]1([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
Title of publication	Synthesis and Catalytic Application in Hydrosilylation of the Complexmer-Hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(III)
Authors of publication	Niu, Qingfen; Sun, Hongjian; Li, Xiaoyan; Klein, H.-F.; Flörke, Ulrich
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	18
Pages of publication	5235
a	13.3604 ± 0.0006 Å
b	9.2903 ± 0.0004 Å
c	8.6402 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1072.44 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178702 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/13.	4081326.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081326.cif
89201	2013-10-09	cif/ Adding structures of 4081326 via cif-deposit CGI script.	4081326.cif