Information card for entry 4308851

Structure parameters

• Common name: tbuLpyphpyZn-4-nitrophenolat
• Chemical name: ((2-Picolyl)(6-phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin) zink-4
• Formula: C40.5 H48 Cl N4 O5.5 Zn
• Calculated formula: C40.5 H42 Cl N4 O5.5 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: 11.078 ± 0.019 Å
• b: 15.48 ± 0.03 Å
• c: 24.18 ± 0.04 Å
• α: 83.08 ± 0.03°
• β: 83.92 ± 0.03°
• γ: 79.88 ± 0.04°
• Cell volume: 4037 ± 12 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No