Information card for entry 4088090

Structure parameters

• Formula: C44 H31 Br F6 Ir N6 P
• Calculated formula: C44 H31 Br F6 Ir N6 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: 28.2267 ± 0.0012 Å
• b: 13.2492 ± 0.0003 Å
• c: 26.6858 ± 0.0009 Å
• α: 90°
• β: 104.771 ± 0.004°
• γ: 90°
• Cell volume: 9650.2 ± 0.6 ų
• Cell temperature: 99.94 ± 0.17 K
• Ambient diffraction temperature: 99.94 ± 0.17 K
• Number of distinct elements: 7
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No