Information card for entry 7023402

Structure parameters

• Common name: MeCN_Et2O
• Formula: C40 H28 F10 Ir N8 P
• Calculated formula: C40 H28 F10 Ir N8 P
• SMILES: c12cc(cc(c1c1cccc[n]1[Ir]132([n]2nn(cc2c2[n]3nn(c2)Cc2ccccc2)Cc2ccccc2)c2cc(cc(c2c2cccc[n]12)F)F)F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent biscyclometalated arylpyridine iridium(III) complexes with 4,4'-bi-1,2,3-triazolyl ancillary ligands.
• Authors of publication: Welby, Christine E.; Gilmartin, Luke; Marriott, Ryan R.; Zahid, Adam; Rice, Craig R.; Gibson, Elizabeth A.; Elliott, Paul I. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13527 - 13536
• a: 16.7186 ± 0.0006 Å
• b: 26.4926 ± 0.0009 Å
• c: 9.334 ± 0.0003 Å
• α: 90°
• β: 109.714 ± 0.001°
• γ: 90°
• Cell volume: 3891.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0291
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No