Information card for entry 2201929

Structure parameters

• Chemical name: [1,1'-Bis(diphenylphosphino)ferrocene-κ^2^P,P'](1,5-cyclo-octadiene)rhodium(I) trifluoromethanesulfonate dichloromethane disolvate
• Formula: C45 H44 Cl4 F3 Fe O3 P2 Rh S
• Calculated formula: C45 H44 Cl4 F3 Fe O3 P2 Rh S
• SMILES: [Rh]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)[P](c1ccccc1)(c1ccccc1)[c]12[Fe]([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23[P]4(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: [1,1'-Bis(diphenylphosphino)ferrocene-κ^2^<i>P,P</i>'](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate dichloromethane disolvate
• Authors of publication: Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m111 - m113
• a: 15.1298 ± 0.0002 Å
• b: 16.5875 ± 0.0003 Å
• c: 19.1186 ± 0.0004 Å
• α: 90°
• β: 112.723 ± 0.001°
• γ: 90°
• Cell volume: 4425.7 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 9
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes