Information card for entry 7715176

Structure parameters

• Formula: C43.54 H39.09 Cl3.09 F6 Ir N5 O4
• Calculated formula: C43.544 H39.088 Cl3.088 F6 Ir N5 O4
• Title of publication: Neutral 2-phenylbenzimidazole-based iridium(III) complexes with picolinate ancillary ligand: tuning the emission properties by manipulating the substituent on the benzimidazole ring.
• Authors of publication: Martínez-Vollbert, Emiliano; Philouze, Christian; Cavignac, Théo; Latouche, Camille; Loiseau, Frédérique; Lanoë, Pierre-Henri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4705 - 4718
• a: 15.316 ± 0.003 Å
• b: 15.544 ± 0.003 Å
• c: 19.688 ± 0.004 Å
• α: 90°
• β: 101.07 ± 0.03°
• γ: 90°
• Cell volume: 4599.9 ± 1.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No