Information card for entry 2019072

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]
• Formula: C26 H16 N6 O4 Zn
• Calculated formula: C26 H16 N6 O4 Zn
• SMILES: [Zn]123([n]4c5ccccc5[nH]c4c4[n]1c(ccc4)c1[n]2c2c([nH]1)cccc2)([n]1c(ccc(c1)C(=O)[O-])C(=O)O3)OC(=O)c1ccc2[n]([Zn]34([n]5c6ccccc6[nH]c5c5[n]3c(ccc5)c3[n]4c4c([nH]3)cccc4)OC2=O)c1
• Title of publication: Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]
• Authors of publication: Xiang, Jing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 750 - 753
• a: 11.066 ± 0.003 Å
• b: 9.708 ± 0.002 Å
• c: 21.717 ± 0.006 Å
• α: 90°
• β: 104.42 ± 0.03°
• γ: 90°
• Cell volume: 2259.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes