Information card for entry 4103272

Structure parameters

• Chemical name: pentanitromethane nitrosyl copper (II) hexafluorophosphate
• Formula: C6 H18 Cu F12 N7 O13 P2
• Calculated formula: C6 H18 Cu F12 N7 O13 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: 12.3815 ± 0.0009 Å
• b: 14.8062 ± 0.001 Å
• c: 28.388 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5204.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No