Information card for entry 7252004

Structure parameters

• Common name: compound 3
• Chemical name: [Ni(4-Hpzca-N)2(4-Hpzca-O?)2(Hpz)2]n
• Formula: C14 H14 N8 Ni O4
• Calculated formula: C14 H14 N8 Ni 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: 8.1167 ± 0.0004 Å
• b: 8.6703 ± 0.0004 Å
• c: 12.4564 ± 0.0005 Å
• α: 90°
• β: 100.009 ± 0.004°
• γ: 90°
• Cell volume: 863.27 ± 0.07 ų
• Cell temperature: 295.2 ± 0.3 K
• Ambient diffraction temperature: 295.2 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No