Information card for entry 4301481

Structure parameters

• Formula: C56 H33 F8 Ir2 N4 O6
• Calculated formula: C56 H31 F8 Ir2 N4 O6
• Title of publication: A Novel Cyclometalated Dimeric Iridium Complex, [(dfpbo)2Ir]2[dfpbo = 2-(3,5-Difluorophenyl)benzoxazolato-N,C2'], Containing an Unsupported IrII-IrII Bond
• Authors of publication: Hsiu-Pen Lee; Yi-Fen Hsu; Tsun-Ren Chen; Jhy-Der Chen; Kelvin H.-C. Chen; Ju-Chun Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1263 - 1265
• a: 16.5166 ± 0.0015 Å
• b: 23.103 ± 0.002 Å
• c: 15.3309 ± 0.0013 Å
• α: 90°
• β: 106.254 ± 0.002°
• γ: 90°
• Cell volume: 5616.2 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No