Information card for entry 2206107

Structure parameters

• Chemical name: catena-poly[[[triaquazinc(II)]-μ-N,N'-(benzene-1,4-dicarboxamido)diacetato- κ^2^O:O'] dihydrate]
• Formula: C12 H20 N2 O11 Zn
• Calculated formula: C12 H20 N2 O11 Zn
• SMILES: C(=O)(CNC(=O)c1ccc(cc1)C(=O)NCC(=O)O[Zn]([OH2])([OH2])[OH2])O[Zn]([OH2])([OH2])([OH2])OC(=O)CNC(=O)c1ccc(cc1)C(=O)NCC(=O)O[Zn]([OH2])([OH2])[OH].O.O.O
• Title of publication: The one-dimensional zigzag coordination polymer <i>catena</i>-poly[[[triaquazinc(II)]-μ-<i>N</i>,<i>N</i>'-(benzene-1,4-dicarboxamido)diacetato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
• Authors of publication: Zhang, Hong-Tao; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1163 - m1165
• a: 6.898 ± 0.0014 Å
• b: 7.755 ± 0.0016 Å
• c: 30.339 ± 0.006 Å
• α: 90°
• β: 93.44 ± 0.03°
• γ: 90°
• Cell volume: 1620 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes