Information card for entry 7011632

Structure parameters

• Formula: C19 H4 O15 Ru6
• Calculated formula: C19 H4 O15 Ru6
• SMILES: [Ru]12345([Ru]6789%10([Ru]%11%12%13([Ru]%14%151([Ru]26%11([C]48%13%15[Ru]37%12%14(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[CH]9=[C]5%10C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of carbido and related derivatives from calcium carbide and ruthenium carbonyl clusters
• Authors of publication: Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3879
• a: 16.956 ± 0.0009 Å
• b: 9.4025 ± 0.0005 Å
• c: 32.929 ± 0.003 Å
• α: 90°
• β: 93.079 ± 0.001°
• γ: 90°
• Cell volume: 5242.3 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections: 1.504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No