Information card for entry 7717355

Structure parameters

• Formula: C35.2 H39.6 N6 Ni O3.6 S3.6
• Calculated formula: C34 H36 N6 Ni O3 S3
• 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: 2024
• a: 13.4469 ± 0.0004 Å
• b: 14.7117 ± 0.0005 Å
• c: 18.4767 ± 0.0007 Å
• α: 79.477 ± 0.002°
• β: 86.598 ± 0.002°
• γ: 88.997 ± 0.002°
• Cell volume: 3587.3 ± 0.2 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0905
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No