Information card for entry 4334000

Structure parameters

• Formula: C17 Ni O16 Ru5
• Calculated formula: C17 Ni O16 Ru5
• SMILES: [Ni]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])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: 9.2207 ± 0.0004 Å
• b: 9.9312 ± 0.0004 Å
• c: 16.0529 ± 0.0007 Å
• α: 85.136 ± 0.0006°
• β: 83.3197 ± 0.0007°
• γ: 63.3268 ± 0.0006°
• Cell volume: 1303.77 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No