Information card for entry 4079108

Structure parameters

• Formula: C26 H30 Cl N2 O Rh
• Calculated formula: C26 H30 Cl N2 O Rh
• Title of publication: Preparation, Hydrogen Bonds, and Catalytic Activity in Metal-Promoted Addition of Arylboronic Acids to Enones of a Rhodium Complex Containing an NHC Ligand with an Alcohol Function
• Authors of publication: Peñafiel, Itziar; Pastor, Isidro M.; Yus, Miguel; Esteruelas, Miguel A.; Oliván, Montserrat
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6154
• a: 13.521 ± 0.006 Å
• b: 21.92 ± 0.009 Å
• c: 7.978 ± 0.003 Å
• α: 90°
• β: 103.597 ± 0.007°
• γ: 90°
• Cell volume: 2298.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No