Information card for entry 4319621

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: C37 H47 N3 O4 Zn
• Calculated formula: C37 H47 N3 O4 Zn
• SMILES: [Zn]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)Oc1c(cccc1)CO.C(=O)(C)C
• 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: 14.553 ± 0.003 Å
• b: 16.121 ± 0.003 Å
• c: 16.251 ± 0.003 Å
• α: 90°
• β: 111.73 ± 0.03°
• γ: 90°
• Cell volume: 3541.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1723
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No