Information card for entry 7001846

Structure parameters

• Formula: C41 H27 Cl F6 Ir N2 P
• Calculated formula: C41 H27 Cl F6 Ir N2 P
• SMILES: [Ir]12(Cl)([P](Cc3c(cc(cc3)F)F)(c3ccccc3)c3ccccc3)([n]3c(c4c1cc(cc4F)F)cccc3)[n]1c(c3c2cc(cc3F)F)cccc1
• Title of publication: Blue-emitting Ir(iii) phosphors with ancillary 4,6-difluorobenzyl diphenylphosphine based cyclometalate
• Authors of publication: Hung, Jui-Yi; Chi, Yun; Pai, I-Hsuan; Yu, Ya-Chien; Lee, Gene-Hsiang; Chou, Pi-Tai; Wong, Ken-Tsung; Chen, Chung-Chia; Wu, Chung-Chih
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6472 - 6475
• a: 10.9279 ± 0.0006 Å
• b: 9.5832 ± 0.0006 Å
• c: 34.0479 ± 0.0019 Å
• α: 90°
• β: 94.773 ± 0.001°
• γ: 90°
• Cell volume: 3553.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No