Information card for entry 4334003

Structure parameters

• Formula: C21 H8 Ni O13 Ru5
• Calculated formula: C21 H8 Ni O13 Ru5
• SMILES: [Ru]1234([Ru]5678([Ru]9%101([Ru]1%11%12%13%14%15%162([Ru]235([Ni]691([C]47%10%112)(C#[O])C8=O)(C#[O])(C#[O])C#[O])[cH]1[cH]%12[cH]%13[c]%14([cH]%15[cH]%161)C)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization
• Authors of publication: Sumit Saha; Lei Zhu; Burjor Captain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2526 - 2532
• a: 17.4209 ± 0.0008 Å
• b: 18.8346 ± 0.0008 Å
• c: 18.4782 ± 0.0008 Å
• α: 90°
• β: 116.945 ± 0.001°
• γ: 90°
• Cell volume: 5404.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No