Information card for entry 2012545

Structure parameters

• Chemical name: hexakis(pyrazole-N^2^)copper(II) hexafluorophosphate perchlorate
• Formula: C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29
• Calculated formula: C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286
• 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: 9.995 ± 0.001 Å
• b: 9.995 ± 0.001 Å
• c: 8.052 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 696.63 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes