Information card for entry 4313374

Structure parameters

• Formula: C40 H54 O15 P2 Pd2 Ru5
• Calculated formula: C40 H54 O15 P2 Pd2 Ru5
• SMILES: [Pd]12([Ru]345([Ru]67([Ru]89%10([Pd]%11%12([Ru]%135%10([Ru]368%11([C]1479%13)(C#[O])(C#[O])C#[O])(C#[O])(C%12=O)C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C2=O)(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Remarkable Dynamical Opening and Closing of Platinum and Palladium Pentaruthenium Carbido Carbonyl Cluster Complexes
• Authors of publication: Richard D. Adams; Burjor Captain; Wei Fu; Perry J. Pellechia; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2094 - 2101
• a: 20.1791 ± 0.0015 Å
• b: 15.283 ± 0.0011 Å
• c: 17.9267 ± 0.0013 Å
• α: 90°
• β: 114.165 ± 0.001°
• γ: 90°
• Cell volume: 5044.1 ± 0.6 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No