Information card for entry 4106187

Structure parameters

• Formula: C28 H40 Cl4 F24 N4 O8 P4 Rh2
• Calculated formula: C28 H40 Cl4 F24 N4 O8 P4 Rh2
• SMILES: [Rh]12([Rh]([P](N([P]1(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)([P](N([P]2(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)(Cl)(Cl)C#[N]C(C)(C)C)(Cl)(Cl)C#[N]C(C)(C)C
• Title of publication: Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex
• Authors of publication: Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8114 - 8117
• a: 12.7491 ± 0.0012 Å
• b: 19.59 ± 0.0018 Å
• c: 21.03 ± 0.002 Å
• α: 90°
• β: 98.354 ± 0.002°
• γ: 90°
• Cell volume: 5196.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No