Information card for entry 4509765

Structure parameters

• Formula: C11 H13 N O6 Zn
• Calculated formula: C11 H13 N O6 Zn
• Title of publication: Reversible Two-Dimensional−Three Dimensional Framework Transformation within a Prototype Metal−Organic Framework
• Authors of publication: Chen, Zhenxia; Xiang, Shengchang; Zhao, Dongyuan; Chen, Banglin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5293
• a: 6.723 ± 0.003 Å
• b: 15.481 ± 0.006 Å
• c: 12.435 ± 0.005 Å
• α: 90°
• β: 102.825 ± 0.005°
• γ: 90°
• Cell volume: 1261.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No