Information card for entry 2224172

Structure parameters

• Chemical name: Aqua{6,6-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) acetonitrile solvate
• Formula: C21 H25 Cu N3 O5
• Calculated formula: C21 H25 Cu N3 O5
• Title of publication: Aqua{6,6-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) acetonitrile solvate
• Authors of publication: Wang, Xinfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1658
• a: 5.4003 ± 0.0009 Å
• b: 19.155 ± 0.004 Å
• c: 10.3891 ± 0.0018 Å
• α: 90°
• β: 98.862 ± 0.003°
• γ: 90°
• Cell volume: 1061.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes