Information card for entry 2012544

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 ų
• 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 Fobs: Yes