Information card for entry 2016296

Structure parameters

• Chemical name: Poly[[triaquazinc(II)]-μ~3~-4-nitrophthalato-κ^3^O^1^:O^2^:O^2'^]
• Formula: C8 H9 N O9 Zn
• Calculated formula: C8 H9 N O9 Zn
• SMILES: [Zn]1([OH2])([OH2])([OH2])OC(=O)c2c(cc(N(=O)=O)cc2)C(O[Zn]2([OH2])([OH2])([OH2])OC(=O)c3c(C(=O)O1)cc(N(=O)=O)cc3)=[O][Zn]1([OH2])([OH2])([OH2])OC(=[O]2)c2c(cc(N(=O)=O)cc2)C(O[Zn]([OH2])([OH2])([OH2])OC(=O)c3c(C(=O)O1)cc(N(=O)=O)cc3)=O
• Title of publication: Poly[[triaquazinc(II)]-μ~3~-4-nitrophthalato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2'^]
• Authors of publication: Guo, Ming-Lin; Guo, Chen-Hu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m595 - m597
• a: 7.0758 ± 0.0012 Å
• b: 7.2954 ± 0.0012 Å
• c: 10.8601 ± 0.0018 Å
• α: 97.317 ± 0.002°
• β: 91.591 ± 0.003°
• γ: 100.621 ± 0.003°
• Cell volume: 545.76 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes