Information card for entry 7010340

Structure parameters

• Formula: C34 H55 B N6 O P Rh
• Calculated formula: C34 H52 B N6 O P Rh
• SMILES: [Rh]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)([n]4n([BH]3(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)c(cc4C)C)C#[O]
• 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: 12.567 ± 0.004 Å
• b: 22.521 ± 0.008 Å
• c: 12.931 ± 0.003 Å
• α: 90°
• β: 102.714 ± 0.019°
• γ: 90°
• Cell volume: 3570 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1258
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No