Information card for entry 7709762

Structure parameters

• Formula: C16 H42 N4 O2 Zr
• Calculated formula: C16 H40 N4 O2 Zr
• SMILES: [Zr]12(OC(C[N]1(C)C)(C)C)(OC(C[N]2(C)C)(C)C)(N(C)C)N(C)C
• Title of publication: Formation of mononuclear N,O-chelate zirconium complexes by direct insertion of epoxide into tetrakis(dimethylamido)zirconium: highly promising approach for developing an ALD precursor of ZrO2 thin films
• Authors of publication: Jiang, Jianwei; Choi, Sohee; Oh, Jaehyun; Choi, Jihyun; Sun, Ho-Jung; Yoon, Sungho
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.8032 ± 0.0002 Å
• b: 9.0568 ± 0.0001 Å
• c: 15.4925 ± 0.0002 Å
• α: 75.621 ± 0.001°
• β: 86.32 ± 0.001°
• γ: 65.266 ± 0.002°
• Cell volume: 1085.63 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.701
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No