Information card for entry 2221506

Structure parameters

• Chemical name: {4-Bromo-2-[(2-morpholinoethyl)iminomethyl]phenolato}iodido(methanol)zinc(II)
• Formula: C14 H20 Br I N2 O3 Zn
• Calculated formula: C14 H20 Br I N2 O3 Zn
• SMILES: [Zn]1(Oc2c(cc(Br)cc2)C=[N]1CCN1CCOCC1)(I)[OH]C
• Title of publication: {4-Bromo-2-[(2-morpholinoethyl)iminomethyl]phenolato}iodido(methanol)zinc(II)
• Authors of publication: Han, Cheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m418
• a: 7.747 ± 0.002 Å
• b: 24.977 ± 0.003 Å
• c: 9.598 ± 0.002 Å
• α: 90°
• β: 100.497 ± 0.004°
• γ: 90°
• Cell volume: 1826.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes