Information card for entry 7114683

Structure parameters

• Formula: C27 H30 Cl Ir N2 Si
• Calculated formula: C27 H29 Cl Ir N2 Si
• SMILES: [Ir]123(Cl)([Si](C)(c4cccc5ccc[n]1c45)c1cccc4ccc[n]2c14)[CH]1CCCCCC[CH]3=1
• 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: 12.436 ± 0.003 Å
• b: 13.469 ± 0.003 Å
• c: 16.105 ± 0.003 Å
• α: 90°
• β: 102.66 ± 0.03°
• γ: 90°
• Cell volume: 2632 ± 1 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 0.933
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No