Information card for entry 7021055

Structure parameters

• Formula: C37 H24 F2 Ir N3
• Calculated formula: C37 H24 F2 Ir N3
• Title of publication: Unprecedented combination of regioselective hydrodefluorination and ligand exchange reaction during the syntheses of tris-cyclometalated iridium(iii) complexes.
• Authors of publication: Lepeltier, Marc; Dumur, Frédéric; Marrot, Jérôme; Contal, Emmanuel; Bertin, Denis; Gigmes, Didier; Mayer, Cédric R
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4479 - 4486
• a: 16.8186 ± 0.0011 Å
• b: 18.58 ± 0.0011 Å
• c: 17.7923 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5559.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No