Crystallography Open Database

Information card for entry 2012544

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Structure parameters

Chemical name	hexakis(pyrazole-N^2^)copper(II) bis(hexafluoroarsenate)
Formula	C18 H24 As2 Cu F12 N12
Calculated formula	C18 H24 As2 Cu F12 N12
SMILES	[As](F)(F)(F)([F-])(F)F.[Cu]([n]1ccc[nH]1)([n]1ccc[nH]1)([n]1ccc[nH]1)([n]1ccc[nH]1)([n]1ccc[nH]1)[n]1ccc[nH]1.[As](F)(F)([F-])(F)(F)F
Title of publication	A copper(II)–pyrazole complex cation with f̱ øverline 3 imposed symmetry
Authors of publication	Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	m182 - m185
a	10.178 ± 0.0014 Å
b	10.178 ± 0.0014 Å
c	8.098 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	726.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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