Information card for entry 7010337

Structure parameters

• Formula: C24 H44 B Cl2 F6 N9 O1.5 P2 Rh
• Calculated formula: C24 H44 B Cl2 F6 N9 O1.5 P2 Rh
• SMILES: [Rh]12([P](N(C)C)(N(C)C)N(C)C)([n]3n([BH](n4[n]2c(C)cc4C)n2[n]1c(C)cc2C)c(cc3C)C)C#[O].[P](F)(F)(F)(F)(F)[F-].O.C(CCl)Cl
• 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: 24.39 ± 0.01 Å
• b: 13.33 ± 0.004 Å
• c: 22.563 ± 0.01 Å
• α: 90 ± 0.03°
• β: 90 ± 0.06°
• γ: 90 ± 0.03°
• Cell volume: 7336 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2888
• Residual factor for significantly intense reflections: 0.1447
• Weighted residual factors for significantly intense reflections: 0.2981
• Weighted residual factors for all reflections included in the refinement: 0.3938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No