Information card for entry 2204385

Structure parameters

• Chemical name: catena-poly[[[aquabis(pyridine-κN)copper(II)]-μ-1,3-phenylenedioxydiacetato- κ^2^-O:O'] dihydrate]‒catena-poly[[[bis(pyridine-κN)copper(II)]- μ-1,3-phenylenedioxydiacetato-κ^2^-O:O'] trihydrate] (1.5/0.5)
• Formula: C40 H48 Cu2 N4 O18
• Calculated formula: C40 H48 Cu1.999 N4 O18
• Title of publication: <i>catena</i>-Poly[[[aquadipyridinecopper(II)]-μ-1,3-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1475 - m1477
• a: 9.046 ± 0.002 Å
• b: 14.626 ± 0.003 Å
• c: 17.588 ± 0.004 Å
• α: 104.4 ± 0.02°
• β: 100.2 ± 0.02°
• γ: 92.47 ± 0.02°
• Cell volume: 2209 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes