Information card for entry 4332183

Structure parameters

• Formula: C42 H30 Cl Ir N3
• Calculated formula: C42 H30 Cl Ir N3
• Title of publication: Highly Efficient, Selective, and General Method for the Preparation of Meridional Homo- and Heteroleptic Tris-cyclometalated Iridium Complexes
• Authors of publication: Huo, Shouquan; Deaton, Joseph C.; Rajeswaran, Manju; Lenhart, William C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3155 - 3157
• a: 14.795 ± 0.0013 Å
• b: 23.136 ± 0.0006 Å
• c: 10.557 ± 0.0005 Å
• α: 90°
• β: 103.801 ± 0.0015°
• γ: 90°
• Cell volume: 3509.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No