Information card for entry 4334593

Structure parameters

• Formula: C46 H36 Ir N3 O2 P2
• Calculated formula: C46 H36 Ir N3 O2 P2
• SMILES: N1=P(c2ccccc2)(c2ccccc2)O[Ir]23([O]=P1(c1ccccc1)c1ccccc1)(c1c(c4[n]2cccc4)cccc1)[n]1c(c2ccccc32)cccc1
• Title of publication: Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand
• Authors of publication: Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4916 - 4925
• a: 15.5459 ± 0.0009 Å
• b: 11.1607 ± 0.0007 Å
• c: 23.5153 ± 0.0013 Å
• α: 90°
• β: 106.391 ± 0.001°
• γ: 90°
• Cell volume: 3914.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No