Information card for entry 7000630

Structure parameters

• Formula: C16 H28 Mg3 N2 O24
• Calculated formula: C16 H28 Mg3 N2 O24
• SMILES: [Mg]12([OH2])([OH2])OC(=O)c3[n]1c(C(=O)O2)cc(c3)C(=[O]1)O[Mg]123([OH2])([OH2])OC(=O)c1[n]2c(C(=O)O3)cc(c1)C(=O)[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Coordination polymers with pyridine-2,4,6-tricarboxylic acid and alkaline-earth/lanthanide/transition metals: synthesis and X-ray structures
• Authors of publication: Das, Madhab C.; Ghosh, Sujit K.; Sañudo, E. Carolina; Bharadwaj, Parimal K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1644 - 1658
• a: 7.274 ± 0.005 Å
• b: 8.955 ± 0.004 Å
• c: 11.032 ± 0.005 Å
• α: 74.722 ± 0.006°
• β: 74.713 ± 0.006°
• γ: 79.032 ± 0.007°
• Cell volume: 663 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0905
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No