Information card for entry 7241158

Structure parameters

• Chemical name: Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene methanol solvate
• Formula: C24 H28 Cu2 F8 I4 O12
• Calculated formula: C24 H28 Cu2 F8 I4 O12
• 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: 8.7053 ± 0.0003 Å
• b: 14.5425 ± 0.0005 Å
• c: 15.3896 ± 0.0005 Å
• α: 90.191 ± 0.001°
• β: 98.112 ± 0.001°
• γ: 97.898 ± 0.001°
• Cell volume: 1909.97 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No