Information card for entry 2237649

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate]
• Formula: C26 H22 N6 O7 Zn
• Calculated formula: C26 H22 N6 O7 Zn
• SMILES: [Zn](OC(=O)c1ccc(cc1)C(=O)[O-])([n]1ccc(cc1)/C=N/O)([n]1ccc(cc1)/C=N/O)OC(=O)c1ccc(cc1)C(=O)O[Zn]([n]1ccc(cc1)/C=N/O)[n]1ccc(cc1)/C=N/O.O/N=C/c1ccncc1.O/N=C/c1ccncc1
• Title of publication: <i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate]
• Authors of publication: Kumagai, Hitoshi; Kawata, Satoshi; Sakamoto, Yoshiyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m216
• a: 7.583 ± 0.003 Å
• b: 15.831 ± 0.006 Å
• c: 21.906 ± 0.008 Å
• α: 90°
• β: 98.516 ± 0.003°
• γ: 90°
• Cell volume: 2600.7 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes