Information card for entry 7116171

Structure parameters

• Formula: C18 H28 F3 Ir N2
• Calculated formula: C18 H28 F3 Ir N2
• SMILES: C1(N(C=CN1C(C)C)C(C)C)=[Ir]123(C(F)(F)F)[CH]4CC[CH]1=[CH]3CC[CH]2=4
• 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: 14.237 ± 0.002 Å
• b: 14.568 ± 0.003 Å
• c: 8.8236 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1830.1 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No