Information card for entry 4308853

Structure parameters

• Common name: tbuLpyphpyZnAcetylpyridin
• Chemical name: ((2-Picolyl)(6-phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin) 2-acet
• Formula: C42 H49 Cl3 N4 O6 Zn
• Calculated formula: C42 H49 Cl5 N4 O6 Zn
• Title of publication: Zinc Complex Chemistry of N,N,O Ligands Providing a Hydrophobic Cavity
• Authors of publication: Florian Gross; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3321 - 3329
• a: 13.355 ± 0.006 Å
• b: 11.687 ± 0.006 Å
• c: 29.348 ± 0.014 Å
• α: 90°
• β: 94.385 ± 0.009°
• γ: 90°
• Cell volume: 4567 ± 4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• 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: 0.2768
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.3329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No