Information card for entry 4308850

Structure parameters

• Common name: tbuL(pyph)2Zn
• Chemical name: Bis(6-Phenyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin- zink-perchlorat
• Formula: C39 H44 Cl N3 O6 Zn
• Calculated formula: C39 H42 Cl N3 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: 21.658 ± 0.004 Å
• b: 10.2571 ± 0.0018 Å
• c: 17.68 ± 0.003 Å
• α: 90°
• β: 112.659 ± 0.004°
• γ: 90°
• Cell volume: 3624.4 ± 1.1 ų
• Cell temperature: 248 ± 2 K
• Ambient diffraction temperature: 248 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No