Information card for entry 4070921

Structure parameters

• Formula: C17 H30 B10 Co N S2
• Calculated formula: C17 H30 B10 Co N S2
• SMILES: [Co]12345([n]6c(S1)cccc6)(S[C]1678[BH]9%10%11[BH]%12%131[BH]1%146[BH]6%157[BH]7%16%17[BH]%189([BH]9%10%12[BH]%10%131[BH]%1467[BH]%16%189%10)[CH]8%11%15%17)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands
• Authors of publication: Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 713
• a: 14.608 ± 0.009 Å
• b: 12.793 ± 0.008 Å
• c: 26.283 ± 0.016 Å
• α: 90°
• β: 94.7 ± 0.01°
• γ: 90°
• Cell volume: 4895 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No