Information card for entry 7215499

Structure parameters

• Formula: C27 H23 N3 O5 Zn
• Calculated formula: C26.994 H22 N3 O5 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: 11.5361 ± 0.0003 Å
• b: 11.5361 ± 0.0003 Å
• c: 37.3168 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4966.2 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No