Information card for entry 2210135

Structure parameters

• Chemical name: catena-poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-μ-benzene- 1,4-dicarboxylato]
• Formula: C26 H16 N4 O5 Zn
• Calculated formula: C26 H16 N4 O5 Zn
• SMILES: [Zn]1([OH2])([n]2cccc3c4nc5c(nc4c4c([n]1ccc4)c23)cccc5)OC(=O)c1ccc(cc1)C(=O)O[Zn]1([OH2])(OC(=O)c2ccc(cc2)C(=O)[O-])[n]2cccc3c4nc5c(nc4c4c([n]1ccc4)c23)cccc5
• Title of publication: A new Zn^II^ coordination polymer with intermolecular π‒π interactions: <i>catena</i>-poly[[aqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ-benzene-1,4-dicarboxylato]
• Authors of publication: Liang Wang; Guang-Bo Che; Chun-Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2323 - m2325
• a: 10.389 ± 0.002 Å
• b: 14.007 ± 0.003 Å
• c: 15.023 ± 0.003 Å
• α: 90°
• β: 94.61 ± 0.03°
• γ: 90°
• Cell volume: 2179.1 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes