Information card for entry 4329614

Structure parameters

• Formula: C21 H39 Cl N O2 P2 Rh
• Calculated formula: C21 H39 Cl N O2 P2 Rh
• SMILES: [Rh]1([P](CC)(CC)CC)([P](CC)(CC)CC)(Cl)(OO1)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: 15.214 ± 0.002 Å
• b: 11.4156 ± 0.0018 Å
• c: 15.778 ± 0.003 Å
• α: 90°
• β: 113.796 ± 0.002°
• γ: 90°
• Cell volume: 2507.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0508
• 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