Information card for entry 7023403

Structure parameters

• Formula: C40 H32 F6 Ir N8 P
• Calculated formula: C40 H32 F6 Ir N8 P
• SMILES: [Ir]123([n]4nn(cc4c4[n]1nn(c4)Cc1ccccc1)Cc1ccccc1)([n]1c(c4ccccc24)cccc1)[n]1c(c2ccccc32)cccc1.[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: 13.0144 ± 0.0007 Å
• b: 13.3032 ± 0.0008 Å
• c: 24.2891 ± 0.0015 Å
• α: 78.746 ± 0.001°
• β: 87.429 ± 0.001°
• γ: 64.527 ± 0.001°
• Cell volume: 3719.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No