Information card for entry 7054110

Structure parameters

• Chemical name: 2,4-pyridine dicarboxylate pentahydrate
• Formula: C7 H12 Mg N O8.5
• Calculated formula: C7 H12 Mg N O8.5
• Title of publication: Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes
• Authors of publication: Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 5
• Pages of publication: 2135
• a: 9.561 ± 0.0008 Å
• b: 8.3362 ± 0.0006 Å
• c: 13.9891 ± 0.001 Å
• α: 90°
• β: 102.135 ± 0.007°
• γ: 90°
• Cell volume: 1090.05 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1317
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No