Information card for entry 4324270

Structure parameters

• Formula: C30.7 H36.4 Cl3.4 Ir N4 O2
• Calculated formula: C30.7 H36.4 Cl3.4 Ir N4 O2
• Title of publication: Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand
• Authors of publication: Etienne Baranoff; Simona Fantacci; Filippo De Angelis; Xianxi Zhang; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 451 - 462
• a: 9.2362 ± 0.0017 Å
• b: 13.6956 ± 0.0015 Å
• c: 14.136 ± 0.002 Å
• α: 69.463 ± 0.01°
• β: 83.415 ± 0.014°
• γ: 77.185 ± 0.009°
• Cell volume: 1631.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No