Information card for entry 7219567

Structure parameters

• Common name: Zn monomer
• Formula: C7 H13 Cl N2 O7 Zn
• Calculated formula: C7 H13 Cl N2 O7 Zn
• SMILES: c1n(c(c(C(=O)[O-])[n+]1C)C(=O)O[Zn](Cl)([OH2])[OH2])C.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: 8.491 ± 0.0017 Å
• b: 8.041 ± 0.0016 Å
• c: 18.847 ± 0.004 Å
• α: 90°
• β: 101.16 ± 0.03°
• γ: 90°
• Cell volume: 1262.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No