Crystallography Open Database

Information card for entry 7111895

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Structure parameters

Formula	C32 H72 Co2 N2 P4
Calculated formula	C32 H72 Co2 N2 P4
SMILES	C1C[P](C(C)C)(C(C)C)[Co]234[N]51CC[P](C(C)C)(C(C)C)[Co]145[N]2(CC[P]3(C(C)C)C(C)C)CC[P]1(C(C)C)C(C)C
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	9.7022 ± 0.0016 Å
b	12.226 ± 0.002 Å
c	17.863 ± 0.003 Å
α	108.791 ± 0.003°
β	95.504 ± 0.002°
γ	102.746 ± 0.002°
Cell volume	1924.3 ± 0.6 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111895.cif
180232	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.	7111895.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111895.cif
103139	2014-02-25	cif/ Adding structures of 7111895, 7111896, 7111897, 7111898 via cif-deposit CGI script.	7111895.cif