Information card for entry 4103273

Structure parameters

• Chemical name: bis(mesitylene) copper (I) hexafluorophosphate
• Formula: C18 H24 Cu F6 P
• Calculated formula: C18 H24 Cu F6 P
• SMILES: [cH]12[Cu]345([c]6(cc(c[c]4([cH]36)C)C)C)[c]1(cc(c[c]25C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.6563 ± 0.0009 Å
• b: 15.9398 ± 0.0017 Å
• c: 14.8137 ± 0.0016 Å
• α: 90°
• β: 98.661 ± 0.002°
• γ: 90°
• Cell volume: 2020.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No