Information card for entry 4088089

Structure parameters

• Formula: C56 H38 Br2 F6 Ir N8 P
• Calculated formula: C56 H38 Br2 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: 15.2882 ± 0.0003 Å
• b: 19.3171 ± 0.0003 Å
• c: 20.026 ± 0.0004 Å
• α: 85.8675 ± 0.0015°
• β: 83.4417 ± 0.0017°
• γ: 81.9153 ± 0.0015°
• Cell volume: 5807.62 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0718
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No