Information card for entry 2240163

Structure parameters

• Chemical name: Bis{2,4-di-<i>tert</i>-butyl-6-[(isopropylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc dichloromethane monosolvate
• Formula: C37 H58 Cl2 N2 O2 Zn
• Calculated formula: C37 H58 Cl2 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3C=[N]1C(C)C)C(C)(C)C)C(C)(C)C)[N](=Cc1c(O2)c(C(C)(C)C)cc(c1)C(C)(C)C)C(C)C.ClCCl
• Title of publication: Crystal structure of bis{2,4-di-<i>tert</i>-butyl-6-[(isopropylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc dichloromethane monosolvate
• Authors of publication: Hao, Yuan-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: m390 - m391
• a: 13.6653 ± 0.0017 Å
• b: 14.6674 ± 0.0018 Å
• c: 19.663 ± 0.002 Å
• α: 90°
• β: 104.807 ± 0.002°
• γ: 90°
• Cell volume: 3810.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0524
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes