Information card for entry 2236010

Structure parameters

• Chemical name: (<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato- κ^2^<i>S</i>,<i>O</i>)(η^4^-cycloocta-1,5-diene)rhodium(I)
• Formula: C28 H27 N2 O Rh S
• Calculated formula: C28 H27 N2 O Rh S
• SMILES: [Rh]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)OC(=NC(=[S]4)N(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: (<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato-κ^2^<i>S</i>,<i>O</i>)(η^4^-cycloocta-1,5-diene)rhodium(I)
• Authors of publication: Warsink, Stefan; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1053 - m1054
• a: 9.8028 ± 0.0004 Å
• b: 11.2293 ± 0.0005 Å
• c: 11.5316 ± 0.0005 Å
• α: 90.408 ± 0.002°
• β: 91.684 ± 0.002°
• γ: 112.183 ± 0.0018°
• Cell volume: 1174.69 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes