Information card for entry 2225496

Structure parameters

• Chemical name: Dichlorido{2-[(2-isopropylammonioethyl)iminomethyl]-5-methoxyphenolato}zinc(II)
• Formula: C13 H20 Cl2 N2 O2 Zn
• Calculated formula: C13 H20 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)[N](=Cc2c(O1)cc(OC)cc2)CC[NH2+]C(C)C
• Title of publication: Dichlorido{2-[(2-isopropylammonioethyl)iminomethyl]-5-methoxyphenolato}zinc(II)
• Authors of publication: Han, Zhen-Quan; Wang, Yuan; Han, Shuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m469
• a: 6.2915 ± 0.0009 Å
• b: 11.899 ± 0.0018 Å
• c: 22.115 ± 0.004 Å
• α: 90°
• β: 96.518 ± 0.004°
• γ: 90°
• Cell volume: 1644.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes