Information card for entry 7034910

Structure parameters

• Formula: C54 H46 B Cl F4 Ir N4 O1.5
• Calculated formula: C54 H46 B Cl F4 Ir N4 O1.5
• Title of publication: Synthesis, characterization, photophysics and electrochemical study of luminescent iridium(iii) complexes with isocyanoborate ligands.
• Authors of publication: Chan, Kin-Cheung; Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15135 - 15144
• a: 16.5174 ± 0.0006 Å
• b: 17.2287 ± 0.0004 Å
• c: 17.8271 ± 0.0005 Å
• α: 90°
• β: 105.839 ± 0.003°
• γ: 90°
• Cell volume: 4880.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0287
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No