Information card for entry 7062407

Structure parameters

• Formula: C19 H24 Cl2 N2 O4 Zn2
• Calculated formula: C19 H24 Cl2 N2 O4 Zn2
• SMILES: [Zn]123([O]4[Zn]56(Cl)[O]1c1c(C[NH]3CCC[NH]2Cc2cccc([O]6C)c24)cccc1[O]5C)Cl
• Title of publication: The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands
• Authors of publication: Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 9346 - 9363
• a: 18.9651 ± 0.0004 Å
• b: 10.1066 ± 0.0003 Å
• c: 11.3647 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2178.3 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No