Information card for entry 7252007

Structure parameters

• Common name: Cupper(II) 1H-pyrazole-4-carboxylate
• Chemical name: 3D-[Cu(pzca)2]n
• Formula: C8 H6 Cu N4 O4
• Calculated formula: C8 H6 Cu N4 O4
• Title of publication: Two-and three-dimensional nickel(II) and copper(II) metal-organic frameworks based on 1H-pyrazole-4-carboxylate
• Authors of publication: Takeshi, Shin-ichiro; Lyu, Liangcheng; Hase, Akane; Haga, Nagito; Takano, Rina; Ishida, Takayuki; Kogane, Tamizo
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 13.3874 ± 0.0006 Å
• b: 5.1261 ± 0.0002 Å
• c: 16.4555 ± 0.0007 Å
• α: 90°
• β: 113.109 ± 0.005°
• γ: 90°
• Cell volume: 1038.65 ± 0.09 ų
• Cell temperature: 300 ± 0.5 K
• Ambient diffraction temperature: 300 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No