Information card for entry 2215625

Structure parameters

• Chemical name: catena-Poly[piperazindiium [zincate(II)-bis(μ-pyridine-2,3-dicarboxylato)- κ^3^N,O^2^:O^3^;κ^3^O^3^:N,O^2^] tetrahydrate]
• Formula: C18 H26 N4 O12 Zn
• Calculated formula: C18 H26 N4 O12 Zn
• SMILES: [Zn]12(OC(=O)c3[n]1cccc3C(=O)O[Zn]13(OC(=O)c4[n]3cccc4C(=O)[O-])(OC(=O)c3[n]1cccc3C(=O)O2)OC(=O)c1c(nccc1)C(=O)[O-]).O.O.O.O.O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
• Title of publication: <i>catena</i>-Poly[piperazindiium [zincate(II)-bis(μ-pyridine-2,3-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^] tetrahydrate]
• Authors of publication: Aghabozorg, Hossein; Daneshvar, Shirin; Motyeian, Elham; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2468 - m2469
• a: 6.6535 ± 0.0006 Å
• b: 8.417 ± 0.0008 Å
• c: 10.3399 ± 0.0009 Å
• α: 78.493 ± 0.002°
• β: 79.524 ± 0.002°
• γ: 71.284 ± 0.002°
• Cell volume: 533.07 ± 0.08 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: 0.0296
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes