Information card for entry 4315787

Structure parameters

• Formula: C19 H40 B20 Cl3 Co3 S6
• Calculated formula: C19 H40 B20 Cl3 Co3 S6
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]14%13%16[C]37%10%12[S]2[Co]34568([cH]9[cH]3[cH]4[cH]5[cH]69)[S]3[Co]452([S]8[Co]279%103([cH]3[cH]%10[cH]9[cH]7[cH]23)[S]4[C]2347[BH]9%10%11[BH]%12%132[BH]2%143[BH]3%154[BH]4%16%17[BH]%189([BH]9%10%12[BH]%10%132[BH]%1434[BH]%16%189%10)[C]7%11%15%17S5)[S]1CCCC.C(Cl)(Cl)Cl
• 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: 14.5475 ± 0.0007 Å
• b: 16.0408 ± 0.0008 Å
• c: 17.332 ± 0.0008 Å
• α: 90°
• β: 94.823 ± 0.001°
• γ: 90°
• Cell volume: 4030.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No