Information card for entry 4113823

Structure parameters

• Formula: C37 H32 Cl2 Ir N3
• Calculated formula: C37 H32 Cl2 Ir N3
• Title of publication: Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes
• Authors of publication: Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7377 - 7387
• a: 15.113 ± 0.002 Å
• b: 9.9696 ± 0.0015 Å
• c: 21.093 ± 0.003 Å
• α: 90°
• β: 91.383 ± 0.003°
• γ: 90°
• Cell volume: 3177.2 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No