Information card for entry 4083593

Structure parameters

• Formula: C76 H96 Cl4 N8 Rh4
• Calculated formula: C76 H96 Cl4 N8 Rh4
• Title of publication: Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties
• Authors of publication: Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3205
• a: 10.1941 ± 0.0003 Å
• b: 17.6476 ± 0.0004 Å
• c: 10.3104 ± 0.0003 Å
• α: 90°
• β: 101.886 ± 0.003°
• γ: 90°
• Cell volume: 1815.09 ± 0.09 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No