Information card for entry 2227967

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-1,4-bis(1,2,4-triazol-1-yl)butane- κ^2^<i>N</i>^4^:<i>N</i>^4'^] biphenyl-4,4'-dicarboxylate]
• Formula: C22 H28 N6 O8 Zn
• Calculated formula: C22 H28 N6 O8 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])[n]1cnn(c1)CCCCn1nc[n](c1)[Zn]([OH2])([OH2])([OH2])([OH2])[n]1cnn(c1)CCCCn1ncnc1.O=C([O-])c1ccc(cc1)c1ccc(C(=O)[O-])cc1.O=C([O-])c1ccc(cc1)c1ccc(C(=O)[O-])cc1
• Title of publication: <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>^4^:<i>N</i>^4'^] biphenyl-4,4'-dicarboxylate]
• Authors of publication: Jiao, Chang-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1404
• a: 6.4344 ± 0.0015 Å
• b: 7.149 ± 0.0018 Å
• c: 13.539 ± 0.003 Å
• α: 89.25 ± 0.004°
• β: 81.348 ± 0.004°
• γ: 72.62 ± 0.003°
• Cell volume: 587.3 ± 0.2 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: 0.0507
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes