Information card for entry 4512817

Structure parameters

• Formula: C9 H5 Cu N O6
• Calculated formula: C9 H5 Cu N O6
• Title of publication: Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties
• Authors of publication: Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1707
• a: 8.53 ± 0.005 Å
• b: 11.28 ± 0.006 Å
• c: 13.917 ± 0.006 Å
• α: 90°
• β: 112.75 ± 0.03°
• γ: 90°
• Cell volume: 1234.9 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No