Information card for entry 7036126

Structure parameters

• Chemical name: bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}rhodium(I) dimer
• Formula: C52 H50 F10 N3 O4 Rh2
• Calculated formula: C52 H50 F10 N2 O2 Rh2
• SMILES: [Rh]1234(OC(c5c(F)c(F)c(F)c(F)c5F)=[N](c5c(cccc5C(C)C)C(C)C)[Rh]567(OC(=[N]1c1c(cccc1C(C)C)C(C)C)c1c(F)c(F)c(F)c(F)c1F)[CH]1=[CH]6C6[CH]7=[CH]5C1C6)[CH]1=[CH]3C3[CH]4=[CH]2C1C3
• 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: 18.4133 ± 0.0019 Å
• b: 13.6493 ± 0.0013 Å
• c: 20.839 ± 0.002 Å
• α: 90°
• β: 101.855 ± 0.003°
• γ: 90°
• Cell volume: 5125.7 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No