Information card for entry 7704882

Structure parameters

• Formula: C70 H71 F16 Ir2 N13 O3 P2
• Calculated formula: C70 H71 F16 Ir2 N13 O3 P2
• SMILES: [Ir]1234(Oc5c(C=[N]1N(C)c1[n]2c[n]2[Ir]678(Oc9c(C=[N]6N(c2c1)C)cc(cc9)C(C)(C)C)[n]1ccccc1c1c8c(c(F)cc1F)c1[n]7cccc1)cc(cc5)C(C)(C)C)[n]1ccccc1c1c4c(c(F)cc1F)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.N#CC.N#CC.N#CC
• Title of publication: Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.
• Authors of publication: Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10463 - 10476
• a: 12.4261 ± 0.0012 Å
• b: 15.8044 ± 0.0015 Å
• c: 19.8347 ± 0.0019 Å
• α: 76.196 ± 0.003°
• β: 74.21 ± 0.003°
• γ: 81.438 ± 0.003°
• Cell volume: 3625.3 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No