Crystallography Open Database

Information card for entry 4079835

Preview

Coordinates	4079835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H33 Cl Co P3
Calculated formula	C11 H33 Cl Co P3
SMILES	C[P](C)(C)[Co](C)(C)(Cl)([P](C)(C)C)[P](C)(C)C
Title of publication	Intermolecular Methyl Group Exchange and Reversible P‒Me Bond Cleavage at Cobalt(III) Dimethyl Halide Species
Authors of publication	Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	3
Pages of publication	798
a	8.9411 ± 0.001 Å
b	15.5862 ± 0.0012 Å
c	13.5476 ± 0.0011 Å
α	90°
β	91.563 ± 0.003°
γ	90°
Cell volume	1887.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.1056
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178687 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/98.	4079835.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079835.cif
74080	2013-02-21	cif/ Adding structures of 4079835, 4079836 via cif-deposit CGI script.	4079835.cif