Crystallography Open Database

Information card for entry 7111898

Preview

Coordinates	7111898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H36 Co N O P2
Calculated formula	C17 H36 Co N O P2
SMILES	[Co]12([P](C(C)C)(C(C)C)CCN2CC[P]1(C(C)C)C(C)C)C#[O]
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	7.6066 ± 0.0008 Å
b	8.4996 ± 0.0009 Å
c	17.1584 ± 0.0017 Å
α	82.406 ± 0.001°
β	82.863 ± 0.0011°
γ	69.241 ± 0.001°
Cell volume	1024.63 ± 0.18 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	0.0332
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7111898.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111898.cif
103139	2014-02-25	cif/ Adding structures of 7111895, 7111896, 7111897, 7111898 via cif-deposit CGI script.	7111898.cif