Information card for entry 7010335

Structure parameters

• Formula: C38 H46 B2 F4 N6 O2 P Rh
• Calculated formula: C38 H46 B2 F4 N6 O2 P Rh
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2n(c(cc2C)C)[BH](n2c(cc([nH+]2)C)C)n2[n]1c(cc2C)C)C#[O].O1CCCC1.[B](F)(F)(F)[F-]
• 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: 9.6364 ± 0.0012 Å
• b: 10.507 ± 0.002 Å
• c: 20.417 ± 0.004 Å
• α: 75.132 ± 0.009°
• β: 87.82 ± 0.02°
• γ: 86.555 ± 0.017°
• Cell volume: 1993.8 ± 0.6 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: 0.0841
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No