Information card for entry 4077117

Structure parameters

• Formula: C35.5 H35 B Cl2 F8 N P2 Rh
• Calculated formula: C35.5 H35 B Cl2 F8 N P2 Rh
• 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: 8.6204 ± 0.0007 Å
• b: 23.217 ± 0.0019 Å
• c: 18.0923 ± 0.0015 Å
• α: 90°
• β: 102.134 ± 0.001°
• γ: 90°
• Cell volume: 3540.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No