Information card for entry 4070919

Structure parameters

• Formula: C15 H19 Cl N Rh S
• Calculated formula: C15 H19 Cl N Rh S
• SMILES: [Rh]12345(Sc6[n]1cccc6)(Cl)[c]1([c]2([c]3([c]4([c]51C)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: 12.712 ± 0.004 Å
• b: 7.541 ± 0.003 Å
• c: 16.181 ± 0.006 Å
• α: 90°
• β: 92.081 ± 0.005°
• γ: 90°
• Cell volume: 1550.1 ± 1 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: 0.0397
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No