Information card for entry 7219570

Structure parameters

• Common name: zINC NITRATE MONOMER
• Formula: C14 H24 N4 O13 Zn
• Calculated formula: C14 H24 N4 O13 Zn
• SMILES: c1n(c(c(C(=O)O[Zn](OC(=O)c2c(C(=O)[O-])n(c[n+]2C)C)([OH2])([OH2])[OH2])[n+]1C)C(=O)[O-])C.O.O
• Title of publication: Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide
• Authors of publication: Tripathi, Sarita; Anantharaman, Ganapathi
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 2754
• a: 15.075 ± 0.002 Å
• b: 8.3079 ± 0.0012 Å
• c: 16.676 ± 0.003 Å
• α: 90°
• β: 92.8 ± 0.003°
• γ: 90°
• Cell volume: 2086 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No