Information card for entry 2023160

Structure parameters

• Chemical name: Tris(μ~2~-perfluoro-<i>o</i>-phenylene)(μ~2~-3-phenyl-4<i>H</i>-chromen-4-one)-<i>triangulo</i>-trimercury
• Formula: C33 H10 F12 Hg3 O2
• Calculated formula: C33 H10 F12 Hg3 O2
• Title of publication: A 1:1 flavone cocrystal with cyclic trimeric perfluoro-<i>o</i>-phenyl-enemercury.
• Authors of publication: Novikov, Egor M.; Castañeda, Raúl; Fonari, Marina S.; Timofeeva, Tatiana V.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 717 - 720
• a: 12.4181 ± 0.0008 Å
• b: 13.8092 ± 0.0008 Å
• c: 17.6498 ± 0.0011 Å
• α: 90°
• β: 93.36 ± 0.002°
• γ: 90°
• Cell volume: 3021.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No