Information card for entry 7717351

Structure parameters

• Formula: C34 H30 D6 N6 Ni O5 S
• Calculated formula: C34 H30 D6 N6 Ni O5 S
• 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: 18.2951 ± 0.0005 Å
• b: 8.766 ± 0.0003 Å
• c: 19.481 ± 0.0006 Å
• α: 90°
• β: 91.9571 ± 0.0005°
• γ: 90°
• Cell volume: 3122.44 ± 0.17 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.027
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No