Information card for entry 4312798

Structure parameters

• Common name: [Cu(I)(dmp)2]PF6x0.5CH2Cl2
• Chemical name: bis-(2,9-dimethyl-1,10-phenanthroline)copper(I) hexafluorophasphate dichloromethane semi-solvate
• Formula: C28.5 H25 Cl Cu F6 N4 P
• Calculated formula: C28.5 H25 Cl Cu F6 N4 P
• Title of publication: Solid-State Structure Dependence of the Molecular Distortion and Spectroscopic Properties of the Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Ion
• Authors of publication: Andrey Yu. Kovalevsky; Milan Gembicky; Irina V. Novozhilova; Philip Coppens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8794 - 8802
• a: 10.525 ± 0.0003 Å
• b: 11.1161 ± 0.0003 Å
• c: 13.3764 ± 0.0003 Å
• α: 69.721 ± 0.001°
• β: 72.974 ± 0.001°
• γ: 72.455 ± 0.001°
• Cell volume: 1368.32 ± 0.06 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No