Information card for entry 7104314

Structure parameters

• Formula: C44 H32 F6 Ir N4 P
• Calculated formula: C44 H32 F6 Ir N4 P
• Title of publication: Two are not always better than one: ligand optimisation for long-living light-emitting electrochemical cells.
• Authors of publication: Costa, Rubén D; Ortí, Enrique; Bolink, Henk J; Graber, Stefan; Housecroft, Catherine E; Neuburger, Markus; Schaffner, Silvia; Constable, Edwin C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 2029 - 2031
• a: 13.6575 ± 0.0006 Å
• b: 8.8865 ± 0.0004 Å
• c: 29.8329 ± 0.0012 Å
• α: 90°
• β: 95.286 ± 0.002°
• γ: 90°
• Cell volume: 3605.3 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No