Information card for entry 7028501

Structure parameters

• Formula: C36.5 H38 Br Cl F6 Ir N6 O0.5 P
• Calculated formula: C32 H27 Br F6 Ir N6 P
• Title of publication: Pyridine imines as ligands in luminescent iridium complexes.
• Authors of publication: Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4026 - 4039
• a: 10.898 ± 0.002 Å
• b: 12.91 ± 0.003 Å
• c: 27.523 ± 0.006 Å
• α: 90.069 ± 0.004°
• β: 98.453 ± 0.004°
• γ: 97.286 ± 0.004°
• Cell volume: 3798.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No