Information card for entry 7010947

Structure parameters

• Formula: C52 H30 O15 P2 Pt2 Ru5
• Calculated formula: C52 H30 O15 P2 Pt2 Ru5
• SMILES: [Pt]12345([Ru]6789([Pt]%10%11%12([Ru]%13%14%156([Ru]617%10([Ru]12%13([Ru]38%14([C]49%1561)(C#[O])(C#[O])C#[O])(C5=O)(C#[O])C#[O])(C%12=O)(C#[O])C#[O])(C%11=O)(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: High yield synthesis of Ru–Pt mixed-metal cluster compounds
• Authors of publication: Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3295
• a: 10.0384 ± 0.0004 Å
• b: 53.54 ± 0.002 Å
• c: 10.4442 ± 0.0004 Å
• α: 90°
• β: 109.278 ± 0.001°
• γ: 90°
• Cell volume: 5298.5 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No