Information card for entry 4070922

Structure parameters

• Formula: C17 H30 B10 N Rh S2
• Calculated formula: C17 H30 B10 N Rh S2
• SMILES: [Rh]12345(S[C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%18[BH]%19%10([BH]%10%11%13[BH]%11%146[BH]%1578[BH]%17%19%10%11)[CH]9%12%16%18)(Sc6[n]1cccc6)[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: 10.429 ± 0.003 Å
• b: 11.533 ± 0.004 Å
• c: 11.584 ± 0.004 Å
• α: 81.027 ± 0.004°
• β: 67.195 ± 0.004°
• γ: 77.123 ± 0.004°
• Cell volume: 1248.3 ± 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: 0.0857
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No