Information card for entry 7211537

Structure parameters

• Common name: Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O
• Chemical name: Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O
• Formula: C24 H22 N12 O7 Zn2
• Calculated formula: C24 H22 N12 O7 Zn2
• SMILES: [Zn]123([OH2])(OC(=O)c4n1[n]([Zn]15([OH2])(OC(=O)c6n1[n]2nn6)[n]1ccccc1c1[n]5cccc1)nn4)[n]1ccccc1c1[n]3cccc1.O
• Title of publication: Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands
• Authors of publication: Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 260
• a: 9.396 ± 0.003 Å
• b: 11.094 ± 0.003 Å
• c: 13.567 ± 0.004 Å
• α: 83.399 ± 0.009°
• β: 81.828 ± 0.007°
• γ: 74.782 ± 0.009°
• Cell volume: 1346.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No