Information card for entry 7058171

Structure parameters

• Formula: C39 H36 Cl2 N4 O13 Zn3
• Calculated formula: C39 H36 Cl2 N4 O13 Zn3
• Title of publication: Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties
• Authors of publication: Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4605
• a: 15.7572 ± 0.0009 Å
• b: 16.4079 ± 0.0009 Å
• c: 16.4852 ± 0.0009 Å
• α: 90.038 ± 0.002°
• β: 104.887 ± 0.002°
• γ: 97.172 ± 0.002°
• Cell volume: 4084.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No