Information card for entry 4347906

Structure parameters

• Formula: C21 H12 Cd N4 O6
• Calculated formula: C21 H12 Cd N4 O6
• Title of publication: Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.
• Authors of publication: Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7200 - 7205
• a: 13.209 ± 0.003 Å
• b: 13.926 ± 0.003 Å
• c: 12.243 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2252.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No