Information card for entry 4348502

Structure parameters

• Formula: C81 H52 Ir N7
• Calculated formula: C81 H52 Ir N7
• Title of publication: Carbazole-Substituted Iridium Complex as a Solid State Emitter for Two-Photon Intravital Imaging.
• Authors of publication: Lepeltier, Marc; Appaix, Florence; Liao, Yuan Yuan; Dumur, Frédéric; Marrot, Jérôme; Le Bahers, Tangui; Andraud, Chantal; Monnereau, Cyrille
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9586 - 9595
• a: 13.7778 ± 0.0005 Å
• b: 16.8338 ± 0.0007 Å
• c: 14.165 ± 0.0006 Å
• α: 90°
• β: 116.862 ± 0.002°
• γ: 90°
• Cell volume: 2930.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No