Information card for entry 2222011

Structure parameters

• Chemical name: Triaqua(2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')(5-nitrobenzene-1,3- dicarboxylato-κ<i>O</i>^1^)zinc(II)
• Formula: C18 H17 N3 O11 Zn
• Calculated formula: C18 H17 N3 O11 Zn
• SMILES: c1cccc2c3ccccn3=[O][Zn]([O]=n12)(OC(=O)c1cc(C(=O)[O-])cc(c1)N(=O)=O)([OH2])([OH2])[OH2]
• Title of publication: Triaqua(2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')(5-nitrobenzene-1,3-dicarboxylato-κ<i>O</i>^1^)zinc(II)
• Authors of publication: Lu, Hui-Juan; Wang, Fang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m660
• a: 8.304 ± 0.0014 Å
• b: 10.7036 ± 0.0018 Å
• c: 11.6546 ± 0.0019 Å
• α: 87.217 ± 0.003°
• β: 88.436 ± 0.003°
• γ: 87.006 ± 0.003°
• Cell volume: 1032.9 ± 0.3 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: 0.0768
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes