Information card for entry 7010336

Structure parameters

• Formula: C35 H39 B Cl2 F6 N6 O P2 Rh
• Calculated formula: C35 H39 B Cl2 F6 N6 O 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: 10.6665 ± 0.0019 Å
• b: 15.09 ± 0.002 Å
• c: 25.261 ± 0.004 Å
• α: 90 ± 0.13°
• β: 90.78 ± 0.14°
• γ: 90 ± 0.14°
• Cell volume: 4065.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No