Information card for entry 7011631

Structure parameters

• Formula: C15 H4 O11 Ru4
• Calculated formula: C15 H4 O11 Ru4
• SMILES: [CH]123[CH]45[Ru]6781([CH]19[Ru]%1027(C#[O])(C#[O])([CH]29[Ru]7481(C6=O)(C#[O])(C(=O)[Ru]35%1027(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: 11.337 ± 0.002 Å
• b: 13.456 ± 0.002 Å
• c: 12.805 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1953.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections: 2.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No