Information card for entry 7252006

Structure parameters

• Common name: compound 2
• Chemical name: cis-[Ni(4-Hpzca-N)2(H2O)4]
• Formula: C8 H14 N4 Ni O8
• Calculated formula: C8 H14 N4 Ni O8
• 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: 12.624 ± 0.0006 Å
• b: 7.3667 ± 0.0003 Å
• c: 13.8231 ± 0.0006 Å
• α: 90°
• β: 103.215 ± 0.004°
• γ: 90°
• Cell volume: 1251.47 ± 0.1 ų
• Cell temperature: 299.8 ± 0.3 K
• Ambient diffraction temperature: 299.8 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No