Information card for entry 7000006

Structure parameters

• Formula: C11 H19 Cl N Rh S
• Calculated formula: C11 H19 Cl N Rh S
• SMILES: [Rh]123(Cl)(/[S]=C/N(C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.
• Authors of publication: Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 181 - 192
• a: 7.2603 ± 0.0001 Å
• b: 15.2871 ± 0.0002 Å
• c: 11.6752 ± 0.0001 Å
• α: 90°
• β: 90.018 ± 0.001°
• γ: 90°
• Cell volume: 1295.82 ± 0.03 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No