Information card for entry 7241156

Structure parameters

• Chemical name: Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene
• Formula: C22 H20 Cu2 F8 I4 O10
• Calculated formula: C22 H20 Cu2 F8 I4 O10
• Title of publication: New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.
• Authors of publication: Torubaev, Yury; Skabitskiy, Ivan V.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.4 ± 0.0005 Å
• b: 15.2947 ± 0.0009 Å
• c: 30.1955 ± 0.0017 Å
• α: 90°
• β: 97.02 ± 0.002°
• γ: 90°
• Cell volume: 3391.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No