Information card for entry 7062406

Structure parameters

• Formula: C42 H54 Cl4 N4 O10 S2 Zn3
• Calculated formula: C42 H54 Cl4 N4 O10 S2 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: 10.2601 ± 0.0002 Å
• b: 11.4484 ± 0.0002 Å
• c: 12.6143 ± 0.0003 Å
• α: 66.03 ± 0.001°
• β: 73.559 ± 0.001°
• γ: 77.067 ± 0.001°
• Cell volume: 1288.5 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No