Information card for entry 7249408

Structure parameters

• Formula: C22 H26 Br2 N2 O4 Zn
• Calculated formula: C22 H26 Br2 N2 O4 Zn
• Title of publication: Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions
• Authors of publication: Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 30896 - 30911
• a: 12.5138 ± 0.0005 Å
• b: 11.9667 ± 0.0004 Å
• c: 16.7858 ± 0.0007 Å
• α: 90°
• β: 108.173 ± 0.001°
• γ: 90°
• Cell volume: 2388.27 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No