Information card for entry 2230726

Structure parameters

• Chemical name: Dichlorido(2-{[3-(morpholin-4-ium-4-yl)propyl]iminomethyl}phenolate)zinc
• Formula: C14 H20 Cl2 N2 O2 Zn
• Calculated formula: C14 H20 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2ccccc2C=[N]1CCC[NH+]1CCOCC1
• Title of publication: Dichlorido(2-{[3-(morpholin-4-ium-4-yl)propyl]iminomethyl}phenolate)zinc
• Authors of publication: Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m932
• a: 8.11276 ± 0.0001 Å
• b: 11.21021 ± 0.00013 Å
• c: 18.4097 ± 0.0002 Å
• α: 90°
• β: 92.0168 ± 0.0006°
• γ: 90°
• Cell volume: 1673.25 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes