Information card for entry 4311874

Structure parameters

• Formula: C37 H39 O12 P Pt Ru5
• Calculated formula: C37 H39 O12 P Pt Ru5
• SMILES: [Pt]12345([Ru]6789([Ru]%10%111([Ru]1%12%136([Ru]627([Ru]27%14%15%163%101([C]48%11%126)([cH]1[cH]2[cH]7[cH]%14[cH]%15[cH]%161)C%13=O)(C#[O])(C#[O])C#[O])(C9=O)(C#[O])C#[O])(C#[O])(C#[O])C5=O)(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.c1ccccc1
• 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: 10.2939 ± 0.0011 Å
• b: 19.369 ± 0.002 Å
• c: 11.1354 ± 0.0012 Å
• α: 90°
• β: 105.122 ± 0.002°
• γ: 90°
• Cell volume: 2143.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No