Crystallography Open Database

Information card for entry 4328241

Preview

Coordinates	4328241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H78 Co F
Calculated formula	C54 H77.98 Co F1.02
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	14.4101 ± 0.0004 Å
b	14.8119 ± 0.0003 Å
c	10.9705 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2341.55 ± 0.09 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0695
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1656
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4328241.cif
77191	2013-03-24	cif/ Adding structures of 4328241 via cif-deposit CGI script.	4328241.cif