Information card for entry 4345841

Structure parameters

• Formula: C36 H37 Cl Ir N3
• Calculated formula: C36 H37 Cl Ir N3
• Title of publication: An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand.
• Authors of publication: Hierlinger, Claus; Roisnel, Thierry; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5182 - 5188
• a: 17.5788 ± 0.0006 Å
• b: 18.3829 ± 0.0006 Å
• c: 22.6662 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7324.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No