Crystallography Open Database

Information card for entry 7221143

Preview

Coordinates	7221143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H35 Cl2 Co N P2
Calculated formula	C31 H35 Cl2 Co N P2
SMILES	C1CN(C(C)C)CC[P](c2ccccc2)(c2ccccc2)[Co]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl
Title of publication	Cobalt “PNP” aminodiphosphine complexes as catalysts in the oxidation of n-octane.
Authors of publication	Naicker, Dunesha; Friedrich, Holger B.; Omondi, Bernard
Journal of publication	RSC Adv.
Year of publication	2015
a	9.1436 ± 0.0003 Å
b	16.8343 ± 0.0005 Å
c	19.0478 ± 0.0006 Å
α	90°
β	95.165 ± 0.001°
γ	90°
Cell volume	2920.05 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0301
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7221143.cif
141473	2015-07-09	cif/ Adding structures of 7221143 via cif-deposit CGI script.	7221143.cif