Information card for entry 7024474

Structure parameters

• Formula: C23 H38 B F4 N2 Rh
• Calculated formula: C23 H38 B F4 N2 Rh
• SMILES: [Rh]1234([N]56CCCC[C@@H]5[C@H]5C[C@@H](C6)[C@H]6[N]1(CCCC6)C5)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: Characterization of a rhodium-sparteine complex, [((-)-sparteine)Rh(eta4-COD)]+: crystal structure and DNMR/DFT studies on ligand-rotation dynamics.
• Authors of publication: De Crisci, Antonio G.; Annibale, Vincent T.; Hamer, Gordon K.; Lough, Alan J.; Fekl, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2888 - 2902
• a: 14.1899 ± 0.0003 Å
• b: 14.315 ± 0.0003 Å
• c: 23.4356 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4760.44 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No