Information card for entry 7203411

Structure parameters

• Formula: C30.5 H32.5 Cl1.5 F12 N8 Ni O8
• Calculated formula: C30.5 H32 Cl1.5 F12 N8 Ni O8
• Title of publication: Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates
• Authors of publication: Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 2736
• a: 13.111 ± 0.003 Å
• b: 13.153 ± 0.004 Å
• c: 13.664 ± 0.004 Å
• α: 95.901 ± 0.008°
• β: 110.85 ± 0.01°
• γ: 103.85 ± 0.01°
• Cell volume: 2091.6 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2209
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No