Information card for entry 2023043

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>] monohydrate]
• Formula: C14 H16 Cu N2 O6
• Calculated formula: C14 H16 Cu N2 O6
• Title of publication: Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand.
• Authors of publication: Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 3
• Pages of publication: 330 - 334
• a: 6.9143 ± 0.0014 Å
• b: 6.2111 ± 0.0012 Å
• c: 17.169 ± 0.003 Å
• α: 90°
• β: 90.05 ± 0.03°
• γ: 90°
• Cell volume: 737.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes