Information card for entry 7720365

Structure parameters

• Formula: C19 H20 Cl2 N4 O5 Zn
• Calculated formula: C19 H20 Cl2 N4 O5 Zn
• Title of publication: Single-Site Hydrogen-Bond Modulation Enhances Catalytic Ester Hydrolysis in a Zn(II)–TPA Scaffold
• Authors of publication: Kim, Han Sol; Lee, Soo Suk
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 13.373 ± 0.003 Å
• b: 13.859 ± 0.004 Å
• c: 13.464 ± 0.005 Å
• α: 90°
• β: 119.197 ± 0.009°
• γ: 90°
• Cell volume: 2178.3 ± 1.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No