Information card for entry 7252003

Structure parameters

• 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: 6.7762 ± 0.0003 Å
• b: 13.2851 ± 0.0006 Å
• c: 14.2804 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1285.56 ± 0.1 ų
• Cell temperature: 299.15 ± 0.1 K
• Ambient diffraction temperature: 299.15 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No