Information card for entry 7010344

Structure parameters

• Formula: C54 H52 B N6 P2 Rh
• Calculated formula: C54 H52 B N6 P2 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: 11.4436 ± 0.0011 Å
• b: 18.7695 ± 0.0018 Å
• c: 23.137 ± 0.003 Å
• α: 90°
• β: 91.323 ± 0.008°
• γ: 90°
• Cell volume: 4968.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No