Information card for entry 4331685

Structure parameters

• Formula: C72 H74 F6 Ir N8 O2 P
• Calculated formula: C72 H74 F6 Ir N8 O2 P
• SMILES: c12ccccc1nc(c1c3c(cc(cc3)C)[Ir]34(c5c(c6c(nc7c(cccc7)[n]36)c3ccc(cc3)C)ccc(c5)C)([n]21)[n]1ccc(cc1c1cc(cc[n]41)C(=O)NCCCCCCCC)C(=O)NCCCCCCCC)c1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Using Substituted Cyclometalated Quinoxaline Ligands To Finely Tune the Luminescence Properties of Iridium(III) Complexes
• Authors of publication: Emily E. Langdon-Jones; Andrew J. Hallett; Jack D. Routledge; David A. Crole; Benjamin D. Ward; James A. Platts; Simon J. A. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 448 - 456
• a: 13.5387 ± 0.0016 Å
• b: 17.488 ± 0.003 Å
• c: 19.205 ± 0.002 Å
• α: 69.57 ± 0.008°
• β: 70.153 ± 0.007°
• γ: 73.293 ± 0.007°
• Cell volume: 3933.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1363
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No