Information card for entry 7250531

Structure parameters

• Formula: C25 H31 Cl4 N3 O5 Zn
• Calculated formula: C25 H31 Cl4 N3 O5 Zn
• Title of publication: Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds
• Authors of publication: Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 30
• Pages of publication: 5104 - 5125
• a: 7.3148 ± 0.0005 Å
• b: 12.0737 ± 0.0008 Å
• c: 17.2426 ± 0.0012 Å
• α: 88.103 ± 0.002°
• β: 82.599 ± 0.002°
• γ: 87.794 ± 0.002°
• Cell volume: 1508.39 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No