Information card for entry 8107183

Structure parameters

• Formula: C40 H46 N4 O4 Zn
• Calculated formula: C40 H46 N4 O4 Zn
• SMILES: [Zn]12(Oc3c(cccc3C(C)(C)C)C=[N]1c1ccc(cc1)C(=N\OC)\C)[N](=Cc1c(O2)c(ccc1)C(C)(C)C)c1ccc(cc1)C(=N\OC)\C
• Title of publication: Crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}zinc(II), C40H46N4O4Zn
• Authors of publication: Zhao, Ji-Xing; Wu, Lei-Fang; Chen, Da-Qun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 667 - 669
• a: 12.0198 ± 0.0004 Å
• b: 28.0212 ± 0.0009 Å
• c: 12.0655 ± 0.0004 Å
• α: 90°
• β: 110.727 ± 0.002°
• γ: 90°
• Cell volume: 3800.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1076
• 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: No
• Has Fobs: No