Information card for entry 1512713

Structure parameters

• Formula: C16 H12 N2 O8 Zn
• Calculated formula: C16 H12 N2 O8 Zn
• SMILES: [Zn]1(OC(=O)C[n+]2cccc(c2)C(O[Zn]OC(=O)C[n+]2cccc(c2)C(=O)O1)=O)(OC(=O)C[n+]1cccc(c1)C(=O)[O-])OC(=O)c1ccc[n+](c1)CC(=O)[O-]
• Title of publication: Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand
• Authors of publication: Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 164 - 170
• a: 14.3015 ± 0.0018 Å
• b: 7.1697 ± 0.0009 Å
• c: 15.1451 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1552.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No