Information card for entry 7010338

Structure parameters

• Formula: C57 H60 B2 Cl6 F4 N6 P2 Rh
• Calculated formula: C57 H56 B2 Cl6 F4 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: 10.6624 ± 0.0015 Å
• b: 17.463 ± 0.002 Å
• c: 17.664 ± 0.004 Å
• α: 93.214 ± 0.012°
• β: 103.27 ± 0.011°
• γ: 107.329 ± 0.012°
• Cell volume: 3028.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.138
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No