Information card for entry 7012971

Structure parameters

• Formula: C64 H40 O15 P2 Pt Ru5
• Calculated formula: C64 H40 O15 P2 Pt Ru5
• SMILES: [Pt]12345([Ru]6789([Ru]%10%11%121([Ru]1%13%142([Ru]236([Ru]7%101([C]48%11%132)(C#[O])(C#[O])C9=O)(C%14=O)(C#[O])C#[O])(C%12=O)(C#[O])C#[O])(C#[O])C#[O])(C5=O)(C#[O])C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The synthesis and characterisation of the cluster dianion [PtRu5C(CO)15]2? and its reactions with Au and Pt cationic fragments produced in situ
• Authors of publication: Khimyak, Tetyana; Johnson, Brian F. G.; Hermans, Sophie; Bond, Andrew D.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2651
• a: 19.9966 ± 0.0005 Å
• b: 15.2038 ± 0.0003 Å
• c: 22.1662 ± 0.0006 Å
• α: 90°
• β: 112.918 ± 0.001°
• γ: 90°
• Cell volume: 6207.1 ± 0.3 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: 0.0772
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No