Information card for entry 7012281

Structure parameters

• Formula: C67 H44 O16 P4 Pt3 Ru6
• Calculated formula: C67 H44 O16 P4 Pt3 Ru6
• SMILES: [Pt]123456[Pt]789%10([Pt]1([P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]9(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Ru]159%112([Ru]2%12%13%1437([Ru]37%1541([Ru]142([Ru]2%1653([Ru]89%121(C2=O)(C#[O])(C#[O])[C]%11%14%154%16)(C7=O)(C#[O])C#[O])(C%13=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C%10=O)(C6=O)C#[O]
• Title of publication: Ligand substitutions in Ru‒Pt clusters: isolation of compounds with unusual geometries
• Authors of publication: Hermans, Sophie; Khimyak, Tetyana; Feeder, Neil; Teat, Simon J.; Johnson, Brian F. G.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 672
• a: 26.974 ± 0.001 Å
• b: 25.628 ± 0.001 Å
• c: 22.106 ± 0.001 Å
• α: 90°
• β: 90.6 ± 0.01°
• γ: 90°
• Cell volume: 15280.8 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.6891 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No