Information card for entry 2019741

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua[1,3-bis(pyridine-3-ylmethoxy)benzene-κ<i>N</i>]zinc(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Formula: C26 H22 N2 O7 Zn
• Calculated formula: C26 H22 N2 O7 Zn
• SMILES: [Zn]([n]1cccc(c1)COc1cccc(c1)OCc1cnccc1)(OC(=O)c1ccc(cc1)C(=O)[O-])([OH2])OC(=O)c1ccc(C(=O)O[Zn]([OH2])[n]2cccc(c2)COc2cccc(c2)OCc2cnccc2)cc1
• Title of publication: A helical zinc(II) coordination polymer assembled from 1,3-bis[(pyridin-3-yl)methoxy]benzene and benzene-1,4-dicarboxylic acid
• Authors of publication: Yu, Cai-Xia; Ma, Feng-Ji; Liu, Lei-Lei; Liu, Cong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 1178 - 1180
• a: 6.0706 ± 0.0012 Å
• b: 17.914 ± 0.004 Å
• c: 21.75 ± 0.004 Å
• α: 90°
• β: 93.54 ± 0.03°
• γ: 90°
• Cell volume: 2360.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes