Information card for entry 4080814

Structure parameters

• Formula: C40.5 H57 Cl F3 N4 O3 Rh S
• Calculated formula: C40 H56 F3 N4 O3 Rh S
• Title of publication: Labile Rhodium(I)‒N-Heterocyclic Carbene Complexes
• Authors of publication: Palacios, Laura; Di Giuseppe, Andrea; Opalinska, Anna; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2768
• a: 10.693 ± 0.0008 Å
• b: 13.4285 ± 0.001 Å
• c: 17.2274 ± 0.0013 Å
• α: 68.936 ± 0.001°
• β: 81.951 ± 0.001°
• γ: 67.892 ± 0.001°
• Cell volume: 2138.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No