Information card for entry 4065233

Structure parameters

• Formula: C18 H27 I N3 O2 Rh
• Calculated formula: C18 H27 I N3 O2 Rh
• SMILES: [Rh]123(I)([CH]4=[CH]1C1[CH]2=[CH]3C4C1)=C1N(C=CN1C)CCNC(=O)OC(C)(C)C
• Title of publication: N-Heterocyclic Carbene-Amide Rhodium(I) Complexes: Structures, Dynamics, and Catalysis
• Authors of publication: Busetto, Luigi; Cassani, M. Cristina; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5258
• a: 12.0829 ± 0.0013 Å
• b: 15.0838 ± 0.0016 Å
• c: 12.2746 ± 0.0013 Å
• α: 90°
• β: 108.245 ± 0.001°
• γ: 90°
• Cell volume: 2124.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No