Information card for entry 4315786

Structure parameters

• Formula: C18 H40 B20 Co2 S4
• Calculated formula: C18 H40 B20 Co2 S4
• SMILES: [Co]123456([S]([Co]789%10([S]2CCCC)(S[C]2%11%12%13[BH]%14%15%16[BH]%17%182[BH]2%19%11[BH]%11%20%12[BH]%12%21%22[BH]%23%14([BH]%14%15%17[BH]%15%182[BH]%19%11%12[BH]%21%23%14%15)[CH]%13%16%20%22)[cH]2[cH]7[cH]8[cH]9[cH]%102)[C]2789[BH]%10%11%12[BH]%13%14%15[BH]%16%17%18[BH]%192([BH]2%207[BH]78%10[BH]8%11%13[BH]%10%14%16[BH]%17%192[BH]%2078%10)[C]9%12%15%18S1)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Ligand-to-Metal Ratio Controlled Assembly of Cobalt Complexes Containing ortho-Carborane Thiolato and Butyl Thiolato Ligands
• Authors of publication: Yuguang Li; Qibai Jiang; Yizhi Li; Xujie Shen; Hong Yan; Vladimir I. Bregadze
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5584 - 5590
• a: 9.937 ± 0.005 Å
• b: 10.918 ± 0.006 Å
• c: 15.988 ± 0.008 Å
• α: 80.302 ± 0.007°
• β: 85.016 ± 0.007°
• γ: 88.648 ± 0.007°
• Cell volume: 1703.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No