Information card for entry 2223872

Structure parameters

• Chemical name: Aqua{6,6'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Formula: C19 H22 Cu N2 O5
• Calculated formula: C19 H22 Cu N2 O5
• Title of publication: Aqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Authors of publication: Wang, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1490
• a: 20.687 ± 0.0015 Å
• b: 22.9179 ± 0.0017 Å
• c: 7.6639 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3633.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes