Information card for entry 7717352

Structure parameters

• Formula: C40 H50 N6 Ni O8
• Calculated formula: C40 H50 N6 Ni O8
• Title of publication: Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.
• Authors of publication: Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 934 - 941
• a: 23.663 ± 0.003 Å
• b: 7.1548 ± 0.0008 Å
• c: 25.033 ± 0.003 Å
• α: 90°
• β: 113.969 ± 0.0017°
• γ: 90°
• Cell volume: 3872.7 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No