Information card for entry 7036129

Structure parameters

• Chemical name: bicyclo[2.2.1]hepta-2,5-dienetricyclohexylphosphinepentafluorophenylrhodium
• Formula: C31 H41 F5 P Rh
• Calculated formula: C31 H41 F5 P Rh
• SMILES: [Rh]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)(c4c(F)c(F)c(F)c(F)c4F)[CH]4=[CH]1C1[CH]3=[CH]2C4C1
• Title of publication: Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes.
• Authors of publication: Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19487 - 19493
• a: 11.6503 ± 0.0012 Å
• b: 20.98 ± 0.002 Å
• c: 11.7247 ± 0.0013 Å
• α: 90°
• β: 91.257 ± 0.002°
• γ: 90°
• Cell volume: 2865.1 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No