Information card for entry 8102348

Structure parameters

• Formula: C14 H21 Cl3 N2 O Zn
• Calculated formula: C14 H21 Cl3 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Cl)cc2)C=[N]1CCC[NH+](CC)CC
• Title of publication: Crystal structure of dichlorido{4-chloro-2-[(3-diethylammoniopropylimino)methyl]phenolato}zinc(II), [Zn(C14H21ClN2O)]Cl2
• Authors of publication: Xiao-Yang Qiu; Ying Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 459
• a: 7.1207 ± 0.001 Å
• b: 15.801 ± 0.002 Å
• c: 15.72 ± 0.002 Å
• α: 90°
• β: 92.188 ± 0.002°
• γ: 90°
• Cell volume: 1767.4 ± 0.4 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: 0.0415
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No