Information card for entry 4313548

Structure parameters

• Formula: C18 H6 O15 Pt Ru5 S
• Calculated formula: C18 H6 O15 Pt Ru5 S
• SMILES: [Pt]12345([Ru]678([Ru]9%10%11([Ru]%1216([Ru]129([Ru]37%10([C]48%11%121)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C5=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[S](C)C
• Title of publication: Dynamical Intramolecular Metal-to-Metal Ligand Exchange of Phosphine and Thioether Ligands in Derivatives PtRu5(CO)16(μ6-C)
• Authors of publication: Richard D. Adams; Burjor Captain; Wei Fu; Perry J. Pellechia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3111 - 3118
• a: 18.82 ± 0.002 Å
• b: 17.652 ± 0.002 Å
• c: 18.756 ± 0.002 Å
• α: 90°
• β: 114.952 ± 0.002°
• γ: 90°
• Cell volume: 5649.4 ± 1.1 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: 0.0325
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No