Information card for entry 4329062

Structure parameters

• Common name: PtRh(tfepma)2(CNBut)Cl3
• Formula: C23 H31 Cl3 F24 N3 O8 P4 Pt Rh
• Calculated formula: C23 H31 Cl3 F24 N3 O8 P4 Pt Rh
• SMILES: [Pt]12([Rh](Cl)(Cl)([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)C#[N]C(C)(C)C)Cl
• Title of publication: Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core
• Authors of publication: Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5152 - 5163
• a: 13.3954 ± 0.001 Å
• b: 19.3358 ± 0.0015 Å
• c: 17.9128 ± 0.0014 Å
• α: 90°
• β: 95.503 ± 0.001°
• γ: 90°
• Cell volume: 4618.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No