Crystallography Open Database

Information card for entry 4328242

Preview

Coordinates	4328242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H75 Co F6 K
Calculated formula	C54 H75 Co F6 K
SMILES	[Co](F)(c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(F)c(F)c(F)c(F)c1F.[K+].CCCCCC
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	16.0295 ± 0.0009 Å
b	10.4041 ± 0.0006 Å
c	30.7218 ± 0.0018 Å
α	90°
β	99.369 ± 0.001°
γ	90°
Cell volume	5055.2 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179385 (current)	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.	4328242.cif
77192	2013-03-24	cif/ Adding structures of 4328242 via cif-deposit CGI script.	4328242.cif