Information card for entry 7022941

Structure parameters

• Formula: C50 H38 Cl6 F10 Ir N12 P
• Calculated formula: C50 H38 Cl6 F10 Ir N12 P
• Title of publication: Cationic iridium(III) complexes bearing a bis(triazole) ancillary ligand.
• Authors of publication: Donato, Loïc; Abel, Philippe; Zysman-Colman, Eli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8402 - 8412
• a: 12.729 ± 0.002 Å
• b: 15.35 ± 0.003 Å
• c: 15.924 ± 0.003 Å
• α: 116.212 ± 0.004°
• β: 93.122 ± 0.004°
• γ: 98.548 ± 0.005°
• Cell volume: 2735 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0638
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No