Information card for entry 7004969

Structure parameters

• Formula: C17 H25 B10 Co3 O5 S2
• Calculated formula: C17 H25 B10 Co3 O5 S2
• SMILES: [Co]1234567([Co]89([Co]1([S]2[C]12%10%11[C]%12%13%14([S]38)[BH]381[BH]1%152[BH]2%16%10[BH]%10%11%12[BH]%11%12%16[BH]%16%152[BH]281[BH]1%133[BH]%14%10%11[BH]%12%1621)(C9=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Syntheses and structures of heterometallic clusters by the reaction of o-carboranyl cobaltadichalcogenolato complexes.
• Authors of publication: Chen, Yin-Qiang; Zhang, Jiasheng; Cai, Shuyi; Hou, Xiu-Feng; Schumann, Herbert; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 749 - 758
• a: 10.123 ± 0.003 Å
• b: 15.505 ± 0.004 Å
• c: 34.664 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5441 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1007
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No