Information card for entry 7010544

Structure parameters

• Formula: C32 H24 B Cl10 F13 P Rh S
• Calculated formula: C32 H24 B Cl10 F13 P Rh S
• Title of publication: Intramolecular SNAr reactions as a route to complexes of hybrid cyclopentadienyl‒phosphine ligands: synthesis of a rhodium complex of the first η5,η1,η1-cyclopentadienyl‒phosphine‒thioether ligand
• Authors of publication: Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 512
• a: 11.6484 ± 0.0009 Å
• b: 11.7516 ± 0.001 Å
• c: 17.7351 ± 0.0014 Å
• α: 93.233 ± 0.002°
• β: 102.549 ± 0.001°
• γ: 112.306 ± 0.001°
• Cell volume: 2166.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No