Information card for entry 4329612

Structure parameters

• Formula: C21 H40 Cl2 N P2 Rh
• Calculated formula: C21 H40 Cl2 N P2 Rh
• SMILES: [RhH]([P](CC)(CC)CC)(Cl)(Cl)([P](CC)(CC)CC)C#[N]c1c(cccc1C)C
• Title of publication: Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes
• Authors of publication: Thomas S. Teets; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7192 - 7201
• a: 11.4479 ± 0.0012 Å
• b: 14.6692 ± 0.0015 Å
• c: 15.4302 ± 0.0015 Å
• α: 90°
• β: 93.787 ± 0.002°
• γ: 90°
• Cell volume: 2585.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No