Information card for entry 2215956

Structure parameters

• Chemical name: catena-Poly[[[aquazinc(II)]-bis[μ-(p-phenylenedioxy)diacetato]-zinc(II)- μ-1,4-bis(1H-imidazol-l-yl)butane] dihydrate]
• Formula: C15 H19 N2 O8 Zn
• Calculated formula: C15 H19 N2 O8 Zn
• SMILES: [Zn]123([OH2])([n]4ccn(c4)CCCCn4cc[n](c4)[Zn]456([OH2])OC(=O)C[O]5c5ccc(cc5)OCC5=[O][Zn]7(O5)(OC(=O)C[O]7c5ccc(cc5)OCC(=[O]4)O6)[OH2])OC(=O)C[O]1c1ccc(cc1)OCC1=[O][Zn]4(O1)([n]1ccn(c1)CCCCn1cc[n]c1)(OC(=O)C[O]4c1ccc(cc1)OCC(=[O]3)O2)[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aquazinc(II)]-bis[μ-(<i>p</i>-phenylenedioxy)diacetato]-zinc(II)-μ-1,4-bis(1<i>H</i>-imidazol-l-yl)butane] dihydrate]
• Authors of publication: Ming Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2833 - m2833
• a: 8.9061 ± 0.0012 Å
• b: 9.8617 ± 0.0014 Å
• c: 10.6066 ± 0.0015 Å
• α: 100.014 ± 0.002°
• β: 94.614 ± 0.002°
• γ: 111.107 ± 0.002°
• Cell volume: 845.4 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes