Crystallography Open Database

Information card for entry 7221144

Preview

Coordinates	7221144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 Cl2 Co N P2
Calculated formula	C34 H39 Cl2 Co N P2
SMILES	c1(ccccc1)[P]1(CCN(C2CCCCC2)CC[P](c2ccccc2)(c2ccccc2)[Co]1(Cl)Cl)c1ccccc1
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	9.7475 ± 0.0016 Å
b	11.1289 ± 0.0018 Å
c	30.195 ± 0.005 Å
α	90°
β	104.044 ± 0.009°
γ	90°
Cell volume	3177.6 ± 0.9 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	0.1375
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2331
Weighted residual factors for all reflections included in the refinement	0.2449
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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.	7221144.cif
141474	2015-07-09	cif/ Adding structures of 7221144 via cif-deposit CGI script.	7221144.cif