Information card for entry 2226980

Structure parameters

• Chemical name: Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ- 2-nitroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] monohydrate]
• Formula: C18 H15 N3 O8 Zn
• Calculated formula: C18 H15 N3 O8 Zn
• SMILES: [Zn]1([OH2])([n]2ccccc2c2[n]1cccc2)OC(=O)c2c(N(=O)=O)cc(cc2)C(=O)O[Zn]1([OH2])([n]2ccccc2c2[n]1cccc2)OC(=O)c2c(N(=O)=O)cc(cc2)C(=O)[O-].O.O
• Title of publication: Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-2-nitroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] monohydrate]
• Authors of publication: Li, Hui-Min; Yuan, Hong-Bo; Yang, Shi-Yao; Huang, Rong-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m983 - m984
• a: 8.557 ± 0.0005 Å
• b: 9.1074 ± 0.0005 Å
• c: 12.206 ± 0.0007 Å
• α: 84.558 ± 0.001°
• β: 76.863 ± 0.001°
• γ: 73.692 ± 0.001°
• Cell volume: 888.58 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes