Information card for entry 7010339

Structure parameters

• Formula: C57 H64 B Cl6 F6 N6 P3 Rh
• Calculated formula: C57 H64 B Cl6 F6 N6 P3 Rh
• Title of publication: Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species
• Authors of publication: Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 670
• a: 10.63 ± 0.003 Å
• b: 17.59 ± 0.004 Å
• c: 17.957 ± 0.003 Å
• α: 95.33 ± 0.02°
• β: 102.693 ± 0.019°
• γ: 107.102 ± 0.016°
• Cell volume: 3085.7 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2341
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No