Information card for entry 2210966

Structure parameters

• Chemical name: catena-Poly[bis[[dichlorozinc(II)]-μ-pyridine-4-carboxylato-κ^2^N,O] hexaaquazinc(II) dihydrate]
• Formula: C12 H24 Cl4 N2 O12 Zn3
• Calculated formula: C12 H24 Cl4 N2 O12 Zn3
• SMILES: [Zn](Cl)(Cl)(OC(=O)c1cc[n](cc1)[Zn](Cl)Cl)[n]1ccc(C(=O)[O-])cc1.[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[hexaaquazinc(II) [bis[dichlorozincate(II)]-μ-pyridine-4-carboxylato-κ^2^<i>N</i>,<i>O</i>] dihydrate]
• Authors of publication: Li, Bao; Ye, Ling; Guang-Feng Hou; Guang-Di Yang; Li-Xin Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2932 - m2933
• a: 11.332 ± 0.007 Å
• b: 50.73 ± 0.02 Å
• c: 9.001 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5174 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes