Information card for entry 1564112

Structure parameters

• Formula: C20 H42 B6 O2 Ru2
• Calculated formula: C20 H42 B6 O2 Ru2
• SMILES: [Ru]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)[BH]12([BH]34([Ru]%10%11%12%13%14%15%16([c]%17([c]%10([c]%11([c]%12([c]%13%17C)C)C)C)C)([B]513(O)[B]16%14(O)[BH]37([BH]%151([H]3)[H]%16)[H]9)[H]4)[H]2)[H]8
• Title of publication: Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study
• Authors of publication: Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119898
• a: 14.1963 ± 0.0009 Å
• b: 13.9701 ± 0.0009 Å
• c: 25.9354 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5143.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No