Information card for entry 7116168

Structure parameters

• Formula: C35 H49 F2 Ir N2
• Calculated formula: C35 H49 F2 Ir N2
• SMILES: [Ir]123(F)(=C4N(C=CN4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.F
• Title of publication: Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)
• Authors of publication: Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 62
• a: 20.4091 ± 0.0018 Å
• b: 16.5631 ± 0.0012 Å
• c: 20.0077 ± 0.0018 Å
• α: 90°
• β: 104.828 ± 0.0019°
• γ: 90°
• Cell volume: 6538.1 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No