Crystallography Open Database

Information card for entry 4336334

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Structure parameters

Formula	C96 H216 Co6 N6 P12
Calculated formula	C96 H216 Co6 N6 P12
Title of publication	Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand
Authors of publication	Sergio S. Rozenel; Rosa Padilla; John Arnold
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11544 - 11550
a	17.8232 ± 0.0014 Å
b	18.3731 ± 0.0014 Å
c	19.216 ± 0.0015 Å
α	94.256 ± 0.001°
β	109.353 ± 0.0011°
γ	97.794 ± 0.001°
Cell volume	5834.2 ± 0.8 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 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	0.0379
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336334.cif
179466	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336334.cif
102312	2014-02-19	cif/ Adding structures of 4336334 via cif-deposit CGI script.	4336334.cif