Crystallography Open Database

Information card for entry 4122598

Preview

Coordinates	4122598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Co P2 Si2
Calculated formula	C34 H46 Co P2 Si2
SMILES	c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[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	10.8664 ± 0.0002 Å
b	17.5792 ± 0.0003 Å
c	17.7365 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3388.07 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4122598.cif
127001	2014-11-12	cif/ Updating files of 4122598, 4122599, 4122600, 4122601, 4122602 Original log message: Adding full bibliography for 4122598--4122602.cif.	4122598.cif
123708	2014-09-11	cif/ Adding structures of 4122598, 4122599, 4122600, 4122601, 4122602 via cif-deposit CGI script.	4122598.cif