Information card for entry 8105714

Structure parameters

• Chemical name: The crystal structure of (E)-2-((tert-butylimino)methyl)-4-chlorophenol Zinc Complex
• Formula: C22 H26 Cl2 N2 O2 Zn
• Calculated formula: C22 H26 Cl2 N2 O2 Zn
• SMILES: c12c(ccc(c1)Cl)O[Zn]1([N](=C2)C(C)(C)C)[N](=Cc2c(ccc(c2)Cl)O1)C(C)(C)C
• Title of publication: The crystal structure of bis((E)-2-((tert-butylimino)methyl)-4-chlorophenolato-κ2 N,O)zinc(II), C22H26Cl2N2O2Zn
• Authors of publication: Yang, Qian-Zhi; Yang, Yu-Xin; Kuang, Jin-Hao; Li, Zhong-Yan; Lin Yuan,
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 425 - 427
• a: 10.488 ± 0.007 Å
• b: 10.139 ± 0.007 Å
• c: 22.76 ± 0.015 Å
• α: 90°
• β: 99.705 ± 0.007°
• γ: 90°
• Cell volume: 2386 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No