Information card for entry 4315097

Structure parameters

• Formula: C47 H34 F6 Ir N6 O P
• Calculated formula: C47 H34 F6 Ir N6 O P
• SMILES: [Ir]123([n]4cccc5c4c4[n]1cccc4c1nccnc51)([n]1c(c4c2cccc4)ccc2c1cccc2)[n]1c(c2c3cccc2)ccc2c1cccc2.CC(=O)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure, Photophysical and Electrochemical Properties, Biomolecular Interactions, and Intracellular Uptake of Luminescent Cyclometalated Iridium(III) Dipyridoquinoxaline Complexes
• Authors of publication: Kenneth Yin Zhang; Steve Po-Yam Li; Nianyong Zhu; Iyana Wai-Shan Or; Maggie Shau-Ha Cheung; Yun-Wah Lam; Kenneth Kam-Wing Lo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2530 - 2540
• a: 11.984 ± 0.002 Å
• b: 15.626 ± 0.003 Å
• c: 22.597 ± 0.005 Å
• α: 90°
• β: 97.65 ± 0.03°
• γ: 90°
• Cell volume: 4193.9 ± 1.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No