Information card for entry 7062242

Structure parameters

• Formula: C34 H26 F6 Ir N16 P
• Calculated formula: C34 H26 F6 Ir N16 P
• Title of publication: Unprecedented Ir(iii) cationic complexes based on tridentate tetrazolate ligands: synthesis, photophysics and encapsulation in SiO2 nanoparticles
• Authors of publication: Troya, José; Quesada-Moreno, María Mar; Jiménez, Juan-Ramón; Herrera, Juan Manuel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 4577 - 4585
• a: 18.841 ± 0.003 Å
• b: 12.3097 ± 0.0019 Å
• c: 18.522 ± 0.004 Å
• α: 90°
• β: 120.168 ± 0.003°
• γ: 90°
• Cell volume: 3713.9 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0164
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No