Information card for entry 4311873

Structure parameters

• Formula: C31 H33 O12 P Pt Ru5
• Calculated formula: C31 H33 O12 P Pt Ru5
• SMILES: [Pt]12345([Ru]678([Ru]9%10%111([Ru]1%126([Ru]627([Ru]27%13%14%15391([C]48%10%126)[cH]1[cH]2[cH]7[cH]%13[cH]%14[cH]%151)(C#[O])(C#[O])C#[O])(C#[O])(C%11=O)C#[O])(C#[O])(C#[O])C5=O)(C#[O])(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity
• Authors of publication: Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7243 - 7249
• a: 12.2809 ± 0.0006 Å
• b: 16.36 ± 0.0007 Å
• c: 19.0208 ± 0.0009 Å
• α: 90°
• β: 101.817 ± 0.001°
• γ: 90°
• Cell volume: 3740.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No