Information card for entry 7000009

Structure parameters

• Formula: C30 H35 Cl N2 O P Rh S
• Calculated formula: C30 H35 Cl N2 O P Rh S
• SMILES: [Rh](Cl)([S]=c1n(c(c(n1C(C)C)C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• 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: 9.0467 ± 0.0001 Å
• b: 10.5875 ± 0.0001 Å
• c: 30.4334 ± 0.0003 Å
• α: 90°
• β: 94.147 ± 0.001°
• γ: 90°
• Cell volume: 2907.34 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No