Crystallography Open Database

Information card for entry 4085749

Preview

Coordinates	4085749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Co N O2 P2
Calculated formula	C28 H38 Co N O2 P2
SMILES	[Co]12([P](C)(C)C)([P](C)(C)C)(OC(=CC(=[O]1)C)C)C(Nc1c3ccccc3ccc21)c1ccccc1
Title of publication	Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones
Authors of publication	Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	8
Pages of publication	1479
a	12.9669 ± 0.0005 Å
b	12.5541 ± 0.0004 Å
c	17.0366 ± 0.0006 Å
α	90°
β	102.278 ± 0.003°
γ	90°
Cell volume	2709.92 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0583
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4085749.cif
138309	2015-06-05	cif/ Updating files of 4085746, 4085747, 4085748, 4085749 Original log message: Adding full bibliography for 4085746--4085749.cif.	4085749.cif
136346	2015-05-13	cif/ Adding structures of 4085746, 4085747, 4085748, 4085749 via cif-deposit CGI script.	4085749.cif