Information card for entry 7004972

Structure parameters

• Formula: C16 H35 B20 Co Mo O2 Se4
• Calculated formula: C16 H35 B20 Co Mo O2 Se4
• SMILES: [Co]123456([Mo]78(C#[O])(C#[O])([Se]1[C]19%10%11[C]%12%13%14([Se]27)[BH]271[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%12%16[BH]%16%159[BH]971[BH]1%132[BH]%14%10%11[BH]%12%1691)[Se][C]1279[C]%10%11%12([Se]8)[BH]8%131[BH]1%142[BH]2%157[BH]79%10[BH]9%10%15[BH]%15%142[BH]2%131[BH]1%118[BH]%1279[BH]%10%1521)[c]1([c]6([c]5([c]4([c]31C)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: 10.709 ± 0.003 Å
• b: 10.383 ± 0.003 Å
• c: 16.57 ± 0.004 Å
• α: 90°
• β: 108.06 ± 0.004°
• γ: 90°
• Cell volume: 1751.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No