Information card for entry 4312804

Structure parameters

• Common name: [Cu(I)(dmp)2]PicratexAcetonitrile
• Chemical name: bis-(2,9-dimethyl-1,10-phenanthroline)copper(I) picrate acetonitrile solvate
• Formula: C36 H29 Cu N8 O7
• Calculated formula: C36 H29 Cu N8 O7
• 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: 7.2387 ± 0.0001 Å
• b: 15.2434 ± 0.0002 Å
• c: 15.9167 ± 0.0002 Å
• α: 107.289 ± 0.001°
• β: 101.164 ± 0.001°
• γ: 97.172 ± 0.001°
• Cell volume: 1613.72 ± 0.04 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No