Information card for entry 7241155

Structure parameters

• Chemical name: tetrakis(m2-Acetato')-bis((4-cyanopyridine-N)-copper(ii)) 1,4-diiodo tetrafluorobenzene
• Formula: C13 H10 Cu F2 I N2 O4
• Calculated formula: C13 H10 Cu F2 I N2 O4
• 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: 7.0657 ± 0.0006 Å
• b: 8.1092 ± 0.0006 Å
• c: 15.0924 ± 0.0012 Å
• α: 83.519 ± 0.001°
• β: 85.919 ± 0.001°
• γ: 67.302 ± 0.001°
• Cell volume: 792.32 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No