Information card for entry 2227110

Structure parameters

• Chemical name: (<i>N</i>-Benzoyl-<i>N</i>'-phenylthiourea-κ<i>S</i>)chlorido(η^4^-1,5- cyclooctadiene)rhodium(I)
• Formula: C22 H24 Cl N2 O Rh S
• Calculated formula: C22 H24 Cl N2 O Rh S
• SMILES: [Rh]123(Cl)([S]=C(Nc4ccccc4)NC(=O)c4ccccc4)[CH]4CC[CH]1=[CH]3CC[CH]2=4
• Title of publication: (<i>N</i>-Benzoyl-<i>N</i>'-phenylthiourea-κ<i>S</i>)chlorido(η^4^-1,5-cyclooctadiene)rhodium(I)
• Authors of publication: Kotze, P. D. Riekert; Roodt, Andreas; Venter, Johan A.; Otto, Stefanus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1028 - m1029
• a: 6.6703 ± 0.0002 Å
• b: 10.1665 ± 0.0004 Å
• c: 14.9616 ± 0.0005 Å
• α: 96.891 ± 0.002°
• β: 91.588 ± 0.002°
• γ: 90.616 ± 0.002°
• Cell volume: 1006.78 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes