Information card for entry 7062409

Structure parameters

• Formula: C41 H52 Cl4 N8 O8 S0.64 Zn3
• Calculated formula: C41 H52 Cl4 N8 O8 S0.641 Zn3
• 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: 11.1806 ± 0.0012 Å
• b: 22.442 ± 0.002 Å
• c: 20.274 ± 0.002 Å
• α: 90°
• β: 100.96 ± 0.003°
• γ: 90°
• Cell volume: 4994.3 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No