Information card for entry 1565990

Structure parameters

• Formula: C37 H49 N6 O9 Zn1.5
• Calculated formula: C37 H49 N6 O9 Zn1.5
• Title of publication: Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands
• Authors of publication: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2022
• Journal volume: 1254
• Pages of publication: 132317
• a: 9.8822 ± 0.0003 Å
• b: 10.8076 ± 0.0004 Å
• c: 19.0586 ± 0.0004 Å
• α: 91.26 ± 0.002°
• β: 99.324 ± 0.002°
• γ: 111.144 ± 0.003°
• Cell volume: 1866.23 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0478
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes