Information card for entry 4347904

Structure parameters

• Formula: C15 H17 Cd N3 O6
• Calculated formula: C15 H17 Cd N3 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: 12.3156 ± 0.0006 Å
• b: 15.5113 ± 0.001 Å
• c: 18.9521 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3620.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No