Information card for entry 7114685

Structure parameters

• Formula: C81 H67 B Cl3 F20 Ir2 N4 O0.5 Si2
• Calculated formula: C80 H54 B Cl3 F20 Ir2 N4 Si2
• Title of publication: Iridium(iii) complexes of the new tridentate bis(8-quinolyl)silyl (‘NSiN’) ligand
• Authors of publication: Stradiotto, Mark; Fujdala, Kyle L.; Tilley, T. Don
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1200
• a: 15.4211 ± 0.0001 Å
• b: 15.8544 ± 0.0001 Å
• c: 15.9441 ± 0.0002 Å
• α: 96.81 ± 0.001°
• β: 90.787 ± 0.001°
• γ: 91.631 ± 0.001°
• Cell volume: 3868.56 ± 0.06 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.1011
• Goodness-of-fit parameter for all reflections: 0.976
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No