Crystallography Open Database

Information card for entry 4122599

Preview

Coordinates	4122599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H46 Co P2 Si2
Calculated formula	C18 H46 Co P2 Si2
SMILES	CC[P]1(CC)CC[P](CC)(CC)[Co]1(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.
Authors of publication	Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	38
Pages of publication	13178 - 13181
a	14.892 ± 0.004 Å
b	10.862 ± 0.003 Å
c	15.727 ± 0.004 Å
α	90°
β	95.056 ± 0.005°
γ	90°
Cell volume	2534.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179027 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/25.	4122599.cif
127001	2014-11-12	cif/ Updating files of 4122598, 4122599, 4122600, 4122601, 4122602 Original log message: Adding full bibliography for 4122598--4122602.cif.	4122599.cif
123708	2014-09-11	cif/ Adding structures of 4122598, 4122599, 4122600, 4122601, 4122602 via cif-deposit CGI script.	4122599.cif