Information card for entry 1565988

Structure parameters

• Formula: C36 H54 N8 Ni2 O8
• Calculated formula: C36 H54 N8 Ni2 O8
• 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: 8.1759 ± 0.0005 Å
• b: 10.9024 ± 0.0007 Å
• c: 11.1088 ± 0.0007 Å
• α: 98.356 ± 0.003°
• β: 99.482 ± 0.002°
• γ: 100.719 ± 0.003°
• Cell volume: 943.68 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0634
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes