Information card for entry 2206013

Structure parameters

• Common name: catena-Poly[[[tetraaquazinc(II)]-μ-[(2E)-N,N'-bis(pyridin-4-ylmethyl)but-2- enediamide]] dinitrate]
• Chemical name: catena-Poly[[[tetraaquazinc(II)]-μ-[(2E)-N,N'-bis(pyridin-4-ylmethyl)but-2- enediamide]] dinitrate]
• Formula: C16 H24 N6 O12 Zn
• Calculated formula: C16 H24 N6 O12 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)CNC(=O)/C=C/C(=O)NCc1cc[n](cc1)[Zn]([OH2])([OH2])([OH2])([OH2])[n]2ccc(cc2)CNC(=O)/C=C/C(=O)NCc2ccncc2.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-[(2<i>E</i>)-<i>N,N</i>'-bis(pyridin-4-ylmethyl)but-2-enediamide]] dinitrate]
• Authors of publication: Gareth O. Lloyd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1204 - m1206
• a: 6.506 ± 0.003 Å
• b: 9.294 ± 0.004 Å
• c: 18.822 ± 0.008 Å
• α: 90°
• β: 94.781 ± 0.006°
• γ: 90°
• Cell volume: 1134.1 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes