Information card for entry 1516609

Structure parameters

• Formula: C28 H18 F10 Ir N6 P
• Calculated formula: C28 H18 F10 Ir N6 P
• SMILES: [Ir]123([n]4c([nH]cc4)c4[n]1cc[nH]4)([n]1c(cccc1)c1c2cc(F)cc1F)[n]1c(cccc1)c1c3cc(F)cc1F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes.
• Authors of publication: Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli
• Journal of publication: Faraday discussions
• Year of publication: 2014
• Journal volume: 174
• Pages of publication: 165 - 182
• a: 25.778 ± 0.006 Å
• b: 15.759 ± 0.004 Å
• c: 16.308 ± 0.004 Å
• α: 90°
• β: 105.245 ± 0.004°
• γ: 90°
• Cell volume: 6392 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No