Information card for entry 7717353

Structure parameters

• Formula: C92 H120 Cl N13 Ni2 O11
• Calculated formula: C92 H120 Cl N13 Ni2 O11
• 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: 11.4188 ± 0.0009 Å
• b: 15.6518 ± 0.0013 Å
• c: 25.611 ± 0.002 Å
• α: 97.4909 ± 0.0014°
• β: 100.716 ± 0.0014°
• γ: 104.649 ± 0.0014°
• Cell volume: 4274.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No