Information card for entry 7004973

Structure parameters

• Formula: C16 H35 B20 Co O2 S4 W
• Calculated formula: C16 H35 B20 Co O2 S4 W
• SMILES: [W]123([Co]45678([S]1[C]19%10%11[BH]%12%13%14[BH]%15%161[BH]1%179[BH]9%18%10[BH]%10%19%20[BH]%21%12([BH]%12%13%15[BH]%13%161[BH]%179%10[BH]%19%21%12%13)[C]%11%14%18%20[S]24)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)(S[C]1245[BH]678[BH]9%101[BH]1%112[BH]2%124[BH]4%13%14[BH]%156([C]57%12%13S3)[BH]35%14[BH]91([BH]%11243)[BH]8%10%155)(C#[O])C#[O]
• 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: 13.778 ± 0.003 Å
• b: 14.753 ± 0.003 Å
• c: 17.735 ± 0.004 Å
• α: 95.409 ± 0.004°
• β: 101.631 ± 0.004°
• γ: 90.833 ± 0.004°
• Cell volume: 3513.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No