Information card for entry 4347017

Structure parameters

• Formula: C45.5 H35 Cl3 F6 Ir N6 P
• Calculated formula: C45.5 H35 Cl3 F6 Ir N6 P
• 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: 14.3335 ± 0.0002 Å
• b: 14.0572 ± 0.0001 Å
• c: 21.5094 ± 0.0003 Å
• α: 90°
• β: 105.679 ± 0.001°
• γ: 90°
• Cell volume: 4172.64 ± 0.09 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No