Information card for entry 4310861

Structure parameters

• Formula: C66 H112 Cl4 O16 P4 Pt4 Rh6
• Calculated formula: C66 H112 Cl4 O16 P4 Pt4 Rh6
• SMILES: [P](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pt]123C(=O)[Rh]456782([C]2(=O)[Rh]9%10%11%12%1315(C(=O)[Pt]1%10([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(=O)[Rh]5%10%14%15%131([Rh]1%13%16%17%18%196([C]4(=O)[Rh]48%12%15%19([C]95=O)(C#[O])C(=O)[Pt]%174([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1=O)C(=O)[Pt]1%16([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(=O)[Rh]72%11%14%181(C#[O])[C]%10%13=O)C#[O])C3=O)C#[O].C(Cl)Cl.C(Cl)Cl
• Title of publication: Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity
• Authors of publication: Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2695 - 2702
• a: 25.3187 ± 0.0015 Å
• b: 14.6823 ± 0.0009 Å
• c: 26.4675 ± 0.0016 Å
• α: 90°
• β: 112.726 ± 0.001°
• γ: 90°
• Cell volume: 9075.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No