Crystallography Open Database

Information card for entry 4117053

Preview

Coordinates	4117053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 B Cl5 Co3 F4 N12
Calculated formula	C42 H32 B Cl5 Co3 F4 N12
Title of publication	Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions
Authors of publication	F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	10377 - 10381
a	18.777 ± 0.007 Å
b	16.538 ± 0.002 Å
c	15.455 ± 0.006 Å
α	90°
β	109.73 ± 0.02°
γ	90°
Cell volume	4518 ± 3 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections	0.1135
Weighted residual factors for significantly intense reflections	0.0954
Goodness-of-fit parameter for all reflections	1.022
Goodness-of-fit parameter for significantly intense reflections	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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