Crystallography Open Database

Information card for entry 4328240

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Structure parameters

Formula	C54 H79 Co
Calculated formula	C54 H79 Co
Title of publication	Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond
Authors of publication	Hao Lei; James C. Fettinger; Philip P. Power
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1821 - 1826
a	14.4108 ± 0.0007 Å
b	14.823 ± 0.0007 Å
c	10.9922 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2348.06 ± 0.19 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4328240.cif
179385	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/82.	4328240.cif
77190	2013-03-24	cif/ Adding structures of 4328240 via cif-deposit CGI script.	4328240.cif