Information card for entry 7044481

Structure parameters

• Formula: C20 H38 B9 Co Ru
• Calculated formula: C20 H38 B9 Co Ru
• SMILES: [BH]123[CH]456[Ru]789%10%11%12%131([CH]1%142[Co]2%15%16%17%1834([BH]345[BH]567[BH]679[BH]981[BH]1%142[BH]2%153[BH]691[BH]4572)[C]1(=[C]%16([C]%17(=[C]%181C)C)C)C)[c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C
• Title of publication: Synthesis of 13-vertex Dimetallacarboranes by Electrophilic Insertion into 12-vertex Ruthenacarboranes
• Authors of publication: Perekalin, Dmitry S.; Lyssenko, Konstantin A.; Kudinov, Alexander R.; Corsini, Maddalena; Fabrizi de Biani, Fabrizia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.2693 ± 0.0009 Å
• b: 14.9393 ± 0.0016 Å
• c: 20.259 ± 0.002 Å
• α: 90°
• β: 100.603 ± 0.002°
• γ: 90°
• Cell volume: 2460 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1365
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No