Information card for entry 2108786

Structure parameters

• Chemical name: Bis(μ-1-methyl-3-oxidopyridinium-4-carboxylato)bis[aqua(1-methyl-3-oxidopyridinium-4-carboxylato)zinc(II)] tetrahydrate'
• Formula: C28 H36 N4 O18 Zn2
• Calculated formula: C28 H36 N4 O18 Zn2
• Title of publication: Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
• Authors of publication: May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• a: 7.9237 ± 0.0005 Å
• b: 8.574 ± 0.0005 Å
• c: 12.3954 ± 0.0008 Å
• α: 84.248 ± 0.002°
• β: 74.706 ± 0.002°
• γ: 85.908 ± 0.002°
• Cell volume: 807.32 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes