Information card for entry 2200110

Structure parameters

• Chemical name: Tetra(2,4-pyridinedicarboxylate)terazinc(II) octa-hydtate
• Formula: C28 H28 N4 O24 Zn4
• Calculated formula: C28 H28 N4 O24 Zn4
• SMILES: [n]12cc3ccc2C(=O)O[Zn]1([OH2])([OH2])OC(=O)c1ccc2[n](c1)[Zn]([OH2])([OH2])(OC(=O)c1ccc4[n](c1)[Zn](OC(=O)c1c[n]5[Zn]([OH2])([OH2])(OC3=O)OC(=O)c5cc1)([OH2])([OH2])OC4=O)OC2=O
• Title of publication: Tetrakis(2,5-pyridinedicarboxylato)tetrazinc(II) octahydrate
• Authors of publication: Liang, Yucang; Hong, Maochun; Cao, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m145 - m147
• a: 7.0512 ± 0.0006 Å
• b: 7.3853 ± 0.0006 Å
• c: 18.4652 ± 0.0014 Å
• α: 90.022 ± 0.001°
• β: 96.985 ± 0.001°
• γ: 115.63 ± 0.001°
• Cell volume: 859.02 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No