Information card for entry 4123727

Structure parameters

• Formula: C18 H14 N2 O4 Zn
• Calculated formula: C18 H14 N2 O4 Zn
• Title of publication: Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.
• Authors of publication: Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9296 - 9301
• a: 27.7069 ± 0.0013 Å
• b: 27.7069 ± 0.0013 Å
• c: 3.5719 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2742 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 3580000 kPa
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No