Information card for entry 1569663

Structure parameters

• Chemical name: Poly[[[μ~3~-3-(2-carboxylatophenyl)propionato][μ~2~-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate]
• Formula: C24 H24 Cu N4 O7
• Calculated formula: C24 H24 Cu N4 O7
• Title of publication: Poly[[[μ3-3-(2-carboxylatophenyl)propionato][μ2-N,N′-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate], a layered coordination polymer with (4,4) topology
• Authors of publication: Gaskin, Gabrielle J.; LaDuca, Robert L.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 8
• Pages of publication: x230679
• a: 9.1138 ± 0.0008 Å
• b: 9.4045 ± 0.0008 Å
• c: 14.4758 ± 0.0013 Å
• α: 97.3 ± 0.001°
• β: 94.045 ± 0.001°
• γ: 114.149 ± 0.001°
• Cell volume: 1112.63 ± 0.17 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0522
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No