Information card for entry 4077118

Structure parameters

• Formula: C35 H33 B Cl F7 N P2 Rh
• Calculated formula: C35 H33 B Cl F7 N P2 Rh
• SMILES: [Rh]123456(Cl)[c]7([c]1([c]2([c]3([c]47C)C)C)C)Cc1c([P@@]5(CC[P]6(c2ccccc2)c2ccccc2)c2ccccc2)c(c(nc1F)F)F.[B](F)(F)(F)[F-]
• Title of publication: Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes
• Authors of publication: Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5726
• a: 9.7712 ± 0.001 Å
• b: 14.9173 ± 0.0016 Å
• c: 22.791 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3322 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No