Information card for entry 7001847

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: 34.6365 ± 0.0014 Å
• b: 11.3201 ± 0.0005 Å
• c: 18.1593 ± 0.0007 Å
• α: 90°
• β: 107.152 ± 0.001°
• γ: 90°
• Cell volume: 6803.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No