Information card for entry 7706283

Structure parameters

• Formula: C31 H50 N16 O5 Zn3
• Calculated formula: C30 H46 N16 O4 Zn3
• SMILES: [Zn]123([O]4[Zn]56([O](c7c4c(ccc7)C=[N]2CC(C[N]1(C)C)(C)C)C)([O]1[Zn]2([N](CC(C[N]2=Cc2c1c([O]5C)ccc2)(C)C)(C)C)([N]6=N#N)N=N#N)[N]3=N#N)N=N#N
• Title of publication: Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications.
• Authors of publication: Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15481 - 15503
• a: 15.8942 ± 0.0002 Å
• b: 12.7087 ± 0.0001 Å
• c: 22.4115 ± 0.0002 Å
• α: 90°
• β: 110.455 ± 0.001°
• γ: 90°
• Cell volume: 4241.56 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0445
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No