Information card for entry 4103271

Structure parameters

• Chemical name: pentanitromethane copper (II) hexafluorophosphate
• Formula: C5 H15 Cu F12 N5 O10 P2
• Calculated formula: C5 H15 Cu F11.98 N5 O10 P2
• Title of publication: Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration
• Authors of publication: Ashley M. Wright; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14336 - 14337
• a: 8.3135 ± 0.0015 Å
• b: 11.698 ± 0.002 Å
• c: 11.779 ± 0.002 Å
• α: 95.151 ± 0.003°
• β: 104.839 ± 0.003°
• γ: 91.269 ± 0.003°
• Cell volume: 1101.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No