Information card for entry 4123720

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: 26.522 ± 0.003 Å
• b: 26.522 ± 0.003 Å
• c: 4.9344 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3470.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 940000 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: 0.1956
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.3052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No