Information card for entry 4319619

Structure parameters

• Common name: Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-
• Chemical name: Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-
• Formula: C33 H38 N4 O4 Zn
• Calculated formula: C33 H38 N4 O4 Zn
• SMILES: [Zn]123([n]4c(cccc4)C[N]2(Cc2[n]1cccc2)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Oc1ccc(cc1)N(=O)=O
• Title of publication: A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry
• Authors of publication: Alexander Trösch; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2305 - 2311
• a: 9.8136 ± 0.0009 Å
• b: 14.2241 ± 0.0012 Å
• c: 21.7074 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3030.1 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No