Information card for entry 7217192

Structure parameters

• Formula: C54 H48 Cl F4 Ir N14 O
• Calculated formula: C54 H48 Cl F4 Ir N14 O
• Title of publication: Triazole-directed hydrogen-bonded structures of cationic iridium(iii) complexes
• Authors of publication: Rawson, Jeremy M.; Donato, Loïc; Zysman-Colman, Eli
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8531
• a: 12.4555 ± 0.001 Å
• b: 14.7313 ± 0.0012 Å
• c: 15.9151 ± 0.0012 Å
• α: 63.621 ± 0.002°
• β: 81.425 ± 0.002°
• γ: 83.341 ± 0.002°
• Cell volume: 2582.8 ± 0.4 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: 0.0497
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No