Information card for entry 4311876

Structure parameters

• Formula: C30 H35 O11 P Pt Ru5
• Calculated formula: C30 H35 O11 P Pt Ru5
• SMILES: [Pt]123456([Ru]789([Ru]%10%11%121([Ru]17([Ru]7%13%14%15%16%173%10([Ru]28([C]49%1117)(C#[O])(C#[O])(C#[O])[H]5)[cH]1[cH]%13[cH]%14[cH]%15[cH]%16[cH]%171)(C%12=O)(C#[O])C#[O])(C#[O])(C#[O])[H]6)(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: 9.9622 ± 0.0006 Å
• b: 18.5553 ± 0.0011 Å
• c: 21.1612 ± 0.0013 Å
• α: 90°
• β: 98.719 ± 0.002°
• γ: 90°
• Cell volume: 3866.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No