Information card for entry 4345714

Structure parameters

• Formula: C58 H34 F20 Ir2 N8 P2
• Calculated formula: C58 H34 F20 Ir2 N8 P2
• SMILES: [Ir]123([n]4ccccc4c4c2cc(F)cc4F)([n]2ccccc2c2c3cc(F)cc2F)[n]2ccccc2c2[n]1cc[n]1[Ir]34([n]5c(c21)cccc5)([n]1ccccc1c1c3cc(F)cc1F)[n]1ccccc1c1c4cc(F)cc1F.[P](F)(F)(F)(F)(F)[F-].[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: 15.032 ± 0.004 Å
• b: 16.703 ± 0.004 Å
• c: 28.599 ± 0.007 Å
• α: 90°
• β: 101.693 ± 0.005°
• γ: 90°
• Cell volume: 7032 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1012
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No