Information card for entry 4343892

Structure parameters

• Formula: C55 H62 Cl6 N P2 Rh
• Calculated formula: C55 H62 Cl6 N P2 Rh
• SMILES: [RhH](Cl)(Cl)([P](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1)([P](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1)C#[N]C12CC3CC(C2)CC(C1)C3.ClCCl.ClCCl
• Title of publication: Oxygen Reduction Mechanism of Monometallic Rhodium Hydride Complexes.
• Authors of publication: Halbach, Robert L.; Teets, Thomas S.; Nocera, Daniel G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7335 - 7344
• a: 16.5395 ± 0.0007 Å
• b: 19.8373 ± 0.0008 Å
• c: 32.8349 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10773.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No