Information card for entry 4070923

Structure parameters

• Formula: C17 H28 B10 Co N S3
• Calculated formula: C17 H28 B10 Co N S3
• SMILES: [Co]123456([n]7c(SC[c]82[c]3([c]4([c]5([c]68C)C)C)C)cccc7)S[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%102[BH]%1134[BH]%13%1567)[C]58%12%14S1
• 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: 8.266 ± 0.003 Å
• b: 10.433 ± 0.003 Å
• c: 14.475 ± 0.005 Å
• α: 99.515 ± 0.005°
• β: 96.993 ± 0.004°
• γ: 100.783 ± 0.004°
• Cell volume: 1194.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No