Information card for entry 7233481

Structure parameters

• Formula: C33 H24 Ir N3
• Calculated formula: C33 H24 Ir N3
• Title of publication: Synthesis of all-deuterated tris(2-phenylpyridine)iridium for highly stable electrophosphorescence: the "deuterium effect"
• Authors of publication: Ping Wang; Fei-Fei Wang; Yi Chen; Qiang Niu; Lei Lu; Hong-Ming Wang; Xi-Cun Gao; Bin Wei; Hong-Wei Wu; Xin Cai; De-Chun Zou
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4821 - 4825
• a: 23.504 ± 0.003 Å
• b: 23.504 ± 0.003 Å
• c: 9.1114 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5033.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No