Information card for entry 2224348

Structure parameters

• Chemical name: Aqua{4,4'-dibromo-6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Formula: C18 H18 Br2 Cu N2 O5
• Calculated formula: C18 H18 Br2 Cu N2 O5
• Title of publication: Aqua{4,4'-dibromo-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Authors of publication: Xie, Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1577
• a: 8.7299 ± 0.0013 Å
• b: 27.968 ± 0.004 Å
• c: 7.99 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1950.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes