Information card for entry 7713623

Structure parameters

• Formula: C50 H58 N4 Ni O6
• Calculated formula: C50 H58 N4 Ni O6
• Title of publication: The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions
• Authors of publication: Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.0666 ± 0.0012 Å
• b: 12.2635 ± 0.001 Å
• c: 24.4101 ± 0.0019 Å
• α: 90°
• β: 102.897 ± 0.0015°
• γ: 90°
• Cell volume: 4396.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No