Information card for entry 4347015

Structure parameters

• Formula: C39 H27 B Cl9 F8 Ir N6
• Calculated formula: C39 H27 B Cl9 F8 Ir N6
• Title of publication: Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole "Click" Ligands.
• Authors of publication: Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2776 - 2790
• a: 12.766 ± 0.0006 Å
• b: 14.2197 ± 0.0009 Å
• c: 14.6535 ± 0.0008 Å
• α: 66.207 ± 0.006°
• β: 83.125 ± 0.004°
• γ: 66.905 ± 0.005°
• Cell volume: 2236.5 ± 0.3 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No