Information card for entry 4312796

Structure parameters

• Common name: [Cu(I)(dmp)2]BF4x0.5dmpx0.5Acetonitrile
• Chemical name: bis-(2,9-dimethyl-1,10-phenanthroline)copper(I) tetrafluoroborate 0.5 dmp acetonitrile semi-solvate
• Formula: C36 H31.5 B Cu F4 N5.5
• Calculated formula: C36 H31.5 B Cu F4 N5.5
• 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: 10.6765 ± 0.0003 Å
• b: 11.3008 ± 0.0004 Å
• c: 13.4806 ± 0.0004 Å
• α: 96.747 ± 0.001°
• β: 90.082 ± 0.001°
• γ: 107.419 ± 0.001°
• Cell volume: 1539.99 ± 0.08 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No