Information card for entry 7052682

Structure parameters

• Formula: C53 H40 B F24 N6 O Rh
• Calculated formula: C53 H40 B F23.88 N6 O Rh
• Title of publication: Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability
• Authors of publication: Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1730
• a: 13.7477 ± 0.0004 Å
• b: 17.6434 ± 0.0006 Å
• c: 22.8544 ± 0.0007 Å
• α: 90°
• β: 100.748 ± 0.001°
• γ: 90°
• Cell volume: 5446.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No