Information card for entry 4518699

Structure parameters

• Formula: C7 H7 N O6 Zn
• Calculated formula: C7 H7 N O6 Zn
• Title of publication: Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.
• Authors of publication: Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 13240 - 13259
• a: 7.7081 ± 0.0004 Å
• b: 15.6681 ± 0.0007 Å
• c: 7.7483 ± 0.0004 Å
• α: 90°
• β: 113.824 ± 0.002°
• γ: 90°
• Cell volume: 856.04 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No