Information card for entry 7054107

Structure parameters

• Chemical name: picolinic acid magnesium nitrate tetrahydrate
• Formula: C12 H18 Mg N4 O14
• Calculated formula: C12 H18 Mg N4 O14
• SMILES: [Mg](OC(=O)c1[nH+]cccc1)(OC(=O)c1[nH+]cccc1)([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-]
• 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: 6.976 ± 0.0012 Å
• b: 10.184 ± 0.002 Å
• c: 13.819 ± 0.003 Å
• α: 80.832 ± 0.007°
• β: 83.325 ± 0.006°
• γ: 77.664 ± 0.005°
• Cell volume: 943.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No