Crystallography Open Database

Information card for entry 4304489

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Coordinates	4304489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Cl2 Co N7 O2
Calculated formula	C25 H20 Cl2 Co N7 O2
SMILES	[Co]123(Oc4c(N2N=C(N=[N]3c2c(O1)cccc2)C#N)cccc4)([n]1ccccc1)[n]1ccccc1.ClCCl
Title of publication	Transition Metal Complexes of 3-Cyano- and 3-Nitroformazans
Authors of publication	Joe B. Gilroy; Brian O. Patrick; Robert McDonald; Robin G. Hicks
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1287 - 1294
a	8.9601 ± 0.0008 Å
b	9.325 ± 0.0008 Å
c	15.8258 ± 0.0013 Å
α	73.4386 ± 0.001°
β	87.6027 ± 0.001°
γ	87.5323 ± 0.0011°
Cell volume	1265.66 ± 0.19 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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