Crystallography Open Database

Information card for entry 7111896

Preview

Coordinates	7111896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H39 Cl Co N P2
Calculated formula	C16 H39 Cl Co N P2
SMILES	[CoH2]12([P](C(C)C)(CC[NH]2CC[P]1(C(C)C)C(C)C)C(C)C)Cl
Title of publication	Unusual activation of H2 by reduced cobalt complexes supported by a PNP pincer ligand
Authors of publication	Sergio S. Rozenel; Rosa Padilla; Clement Camp; John Arnold
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2612
a	10.526 ± 0.006 Å
b	15.026 ± 0.008 Å
c	15.316 ± 0.008 Å
α	62.877 ± 0.007°
β	86.128 ± 0.008°
γ	85.906 ± 0.008°
Cell volume	2149 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
180232 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/18.	7111896.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111896.cif
103139	2014-02-25	cif/ Adding structures of 7111895, 7111896, 7111897, 7111898 via cif-deposit CGI script.	7111896.cif