Crystallography Open Database

Information card for entry 4122602

Preview

Coordinates	4122602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Co P2
Calculated formula	C34 H36 Co P2
SMILES	C1C[P](c2ccccc2)(c2ccccc2)[Co]234([CH]5CC[CH]2=[CH]3CC[CH]4=5)[P]1(c1ccccc1)c1ccccc1
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	9.9345 ± 0.001 Å
b	9.0704 ± 0.0009 Å
c	18.5496 ± 0.0018 Å
α	90°
β	95.247 ± 0.002°
γ	90°
Cell volume	1664.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
179028 (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 4/12/26.	4122602.cif
127001	2014-11-12	cif/ Updating files of 4122598, 4122599, 4122600, 4122601, 4122602 Original log message: Adding full bibliography for 4122598--4122602.cif.	4122602.cif
123708	2014-09-11	cif/ Adding structures of 4122598, 4122599, 4122600, 4122601, 4122602 via cif-deposit CGI script.	4122602.cif