Information card for entry 1513182

Structure parameters

• Common name: Rh(bpy)(CH3)(H2))]2+ 2[BF4]-
• Formula: C12 H11 I2 N2 O Rh
• Calculated formula: C12 H11 I2 N2 O Rh
• SMILES: [Rh]1(I)(I)(C#[O])(C)[n]2ccccc2c2[n]1cccc2
• Title of publication: Examination of a dicationic rhodium methyl aquo complex
• Authors of publication: Kimberly A. Manbeck; William W. Brennessel; William D. Jones
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 140 - 143
• a: 6.9968 ± 0.001 Å
• b: 8.4323 ± 0.0013 Å
• c: 13.606 ± 0.002 Å
• α: 75.395 ± 0.003°
• β: 81.482 ± 0.003°
• γ: 75.678 ± 0.003°
• Cell volume: 749.51 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0892
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No