Information card for entry 7034909

Structure parameters

• Formula: C48.5 H17 B Cl2 F19 Ir N4
• Calculated formula: C48.5 H17 B Cl2 F19 Ir N4
• 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: 21.9289 ± 0.0003 Å
• b: 13.81974 ± 0.00014 Å
• c: 16.704 ± 0.0002 Å
• α: 90°
• β: 112.286 ± 0.0015°
• γ: 90°
• Cell volume: 4684.03 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No