Information card for entry 7713365

Structure parameters

• Formula: C92 H68 F6 Ir2 N16 P
• Calculated formula: C92 H68 F6 Ir2 N16 P
• Title of publication: Organometallic Ir(III) complexes: post-synthetic modification, photophysical properties and binuclear complex construction.
• Authors of publication: Gitlina, Anastasia Yu; Khistiaeva, Viktoria; Melnikov, Alexey; Ivonina, Mariia; Sizov, Vladimir; Spiridonova, Dar'ya; Makarova, Anna; Vyalikh, Denis; Grachova, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 26
• Pages of publication: 8986 - 8997
• a: 42.9654 ± 0.0002 Å
• b: 33.9313 ± 0.0002 Å
• c: 15.7798 ± 0.0001 Å
• α: 90°
• β: 96.768 ± 0.001°
• γ: 90°
• Cell volume: 22844.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No