Information card for entry 1570038

Structure parameters

• Chemical name: Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]
• Formula: C26 H30 Cu N4 O5
• Calculated formula: C26 H28 Cu N4 O5
• Title of publication: Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks
• Authors of publication: Gaskin, Gabrielle J.; LaDuca, Robert L.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 10
• a: 18.402 ± 0.002 Å
• b: 33.377 ± 0.004 Å
• c: 17.963 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11033 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2709
• Weighted residual factors for all reflections included in the refinement: 0.3024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No