Information card for entry 4341149

Structure parameters

• Formula: C24 H38 B3 Mn O3 Ru2 S2
• Calculated formula: C24 H38 B3 Mn O3 Ru2 S2
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15([S]=C[S][B]%166%14([BH]67([Mn]7%14(C#[O])(C#[O])(C#[O])[B]16([H]7)([H]%14)[H]8)[H]%16)[H]%15)([c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[H]9)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.
• Authors of publication: Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10527 - 10535
• a: 11.726 ± 0.0008 Å
• b: 13.8766 ± 0.0007 Å
• c: 18.0847 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No