Information card for entry 7116165

Structure parameters

• Formula: C35 H48 F Ir N2
• Calculated formula: C35 H48 F 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
• 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: 38.809 ± 0.007 Å
• b: 38.809 ± 0.007 Å
• c: 10.795 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16259 ± 5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No