Information card for entry 7057530

Structure parameters

• Formula: C16 H18 Cl2 N4 O5 Zn
• Calculated formula: C16 H18 Cl2 N4 O5 Zn
• Title of publication: Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation
• Authors of publication: Purkait, Suranjana; Chakraborty, Prateeti; Frontera, Antonio; Bauzá, Antonio; Zangrando, Ennio; Das, Debasis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12998
• a: 10.6472 ± 0.0004 Å
• b: 15.7209 ± 0.0005 Å
• c: 11.7623 ± 0.0004 Å
• α: 90°
• β: 97.447 ± 0.001°
• γ: 90°
• Cell volume: 1952.21 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No