Crystallography Open Database

Information card for entry 4117051

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Coordinates	4117051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 Cl6 Co3 N12
Calculated formula	C41 H32 Cl4 Co3 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	12.8145 ± 0.0009 Å
b	13.955 ± 0.001 Å
c	11.166 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1996.8 ± 0.3 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	5
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	0.0468
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for all reflections	0.0836
Weighted residual factors for significantly intense reflections	0.0775
Goodness-of-fit parameter for all reflections	1.035
Goodness-of-fit parameter for significantly intense reflections	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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