Information card for entry 4076400

Structure parameters

• Formula: C53 H37 B F24 N5 Rh
• Calculated formula: C53 H37 B F24 N5 Rh
• Title of publication: New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination
• Authors of publication: Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1790
• a: 13.4051 ± 0.0009 Å
• b: 14.1548 ± 0.001 Å
• c: 15.0838 ± 0.0009 Å
• α: 85.584 ± 0.002°
• β: 81.196 ± 0.002°
• γ: 69.99 ± 0.002°
• Cell volume: 2656.7 ± 0.3 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No