Information card for entry 4088091

Structure parameters

• Formula: C44 H34 F6 Ir N8 P
• Calculated formula: C44 H34 F6 Ir N8 P
• Title of publication: Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes
• Authors of publication: Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 5513
• a: 17.166 ± 0.0002 Å
• b: 21.8245 ± 0.0002 Å
• c: 20.9858 ± 0.0004 Å
• α: 90°
• β: 93.194 ± 0.001°
• γ: 90°
• Cell volume: 7849.89 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No