Information card for entry 2227838

Structure parameters

• Common name: (COD)(N,N'-diethylthiourea)rhodium(I)chloride
• Chemical name: Chlorido(η^4^-cycloocta-1,5-diene)(<i>N</i>,<i>N</i>'- diethylthiourea-κ<i>S</i>)rhodium(I)
• Formula: C13 H24 Cl N2 Rh S
• Calculated formula: C13 H24 Cl N2 Rh S
• SMILES: C(=[S][Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl)(NCC)NCC
• Title of publication: Chlorido(<i>{η</i>}^4^-cycloocta-1,5-diene)(<i>N</i>,<i>N</i>'-diethylthiourea-κ<i>S</i>)rhodium(I)
• Authors of publication: Brancatelli, Giovanna; Drommi, Dario; Bruno, Giuseppe; Faraone, Felice
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1368
• a: 7.295 ± 0.005 Å
• b: 8.705 ± 0.005 Å
• c: 12.602 ± 0.005 Å
• α: 101.727 ± 0.005°
• β: 102.058 ± 0.005°
• γ: 94.765 ± 0.005°
• Cell volume: 759.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0171
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes