Information card for entry 4345713

Structure parameters

• Formula: C36 H26 F6 Ir N6 P
• Calculated formula: C36 H26 F6 Ir N6 P
• SMILES: [Ir]123([n]4ccccc4c4c2cccc4)([n]2ccccc2c2c3cccc2)[n]2ccccc2c2[n]1ccnc2c1ncccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photophysics and Excited-State Properties of Cyclometalated Iridium(III)-Platinum(II) and Iridium(III)-Iridium(III) Bimetallic Complexes Bridged by Dipyridylpyrazine.
• Authors of publication: Cho, Yang-Jin; Kim, So-Yoen; Choi, Chang Min; Kim, Nam Joon; Kim, Chul Hoon; Cho, Dae Won; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5305 - 5315
• a: 12.0214 ± 0.0018 Å
• b: 23.478 ± 0.003 Å
• c: 14.757 ± 0.002 Å
• α: 90°
• β: 93.964 ± 0.003°
• γ: 90°
• Cell volume: 4155 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No