Information card for entry 7032964

Structure parameters

• Formula: C31 H33 B3 Co2 O11 Ru4
• Calculated formula: C31 H33 B3 Co2 O11 Ru4
• SMILES: [B]123[B]456789[B]%10%11%12%13%14[Co]%15%16%17%18%1914([c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)[Ru]16%11(C#[O])(C#[O])(C#[O])[Ru]%10(C#[O])(C#[O])(C#[O])([Ru]47%121(C#[O])(C#[O])[Co]167%1025([c]2([c]1([c]6([c]7([c]%102C)C)C)C)C)([Ru]38%13%194(C#[O])(C#[O])C#[O])[H]9)[H]%14
• Title of publication: Chemistry of group 9 dimetallaborane analogues of octaborane(12).
• Authors of publication: Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 669 - 676
• a: 9.5232 ± 0.0002 Å
• b: 19.2392 ± 0.0005 Å
• c: 11.2114 ± 0.0003 Å
• α: 90°
• β: 112.862 ± 0.001°
• γ: 90°
• Cell volume: 1892.77 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No