Information card for entry 7215500

Structure parameters

• Formula: C24 H16 N2 O4 Zn
• Calculated formula: C24 H16 N2 O4 Zn
• Title of publication: The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies
• Authors of publication: Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 8160
• a: 11.5806 ± 0.0003 Å
• b: 11.5806 ± 0.0003 Å
• c: 34.904 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4681 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No