Information card for entry 7713624

Structure parameters

• Formula: C45 H47 Cl3 N4 Ni O4
• Calculated formula: C45 H47 Cl3 N4 Ni O4
• 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: 8.741 ± 0.0004 Å
• b: 20.937 ± 0.0013 Å
• c: 23.4276 ± 0.0014 Å
• α: 104.362 ± 0.002°
• β: 92.6794 ± 0.0018°
• γ: 96.6847 ± 0.0018°
• Cell volume: 4112.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0618
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No