Information card for entry 4308849

Structure parameters

• Common name: tbuL(pyme)2ZnAqua
• Chemical name: Bis(6-Methyl-2-picolyl)(2-hydroxy-3,5-di-tert-butyl-benzyl)amin-aqua- zink-perchlorat
• Formula: C29 H40 Cl N3 O6 Zn
• Calculated formula: C29 H40 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: 10.03 ± 0.0018 Å
• b: 12.151 ± 0.002 Å
• c: 13.196 ± 0.002 Å
• α: 85.685 ± 0.003°
• β: 81.476 ± 0.003°
• γ: 73.702 ± 0.003°
• Cell volume: 1525.6 ± 0.4 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: 0.0727
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No