Information card for entry 4063640

Structure parameters

• Formula: C30 H24 Ir N3 O
• Calculated formula: C30 H24 Ir N3 O
• SMILES: [Ir]123(OC(=[N]1c1ccccc1)C)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31
• Title of publication: Amidate Iridium(III) Bis(2-pyridyl)phenyl Complexes: Application Examples of Amidate Ancillary Ligands in Iridium(III)-Cyclometalated Complexes
• Authors of publication: Yang, Wei; Fu, Hao; Song, Qijun; Zhang, Min; Ding, Yuqiang
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 77
• a: 10.402 ± 0.003 Å
• b: 16.964 ± 0.005 Å
• c: 13.984 ± 0.004 Å
• α: 90°
• β: 93.995 ± 0.004°
• γ: 90°
• Cell volume: 2461.6 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No