Information card for entry 7706531

Structure parameters

• Formula: C36 H44 N7 O7 Zn
• Calculated formula: C30 H28 N5 O4 Zn
• Title of publication: Modulation of CO₂ adsorption in novel pillar-layered MOFs based on carboxylate-pyrazole flexible linker.
• Authors of publication: Lancheros, Andrés; Goswami, Subhadip; Mian, Mohammad Rasel; Zhang, Xuan; Zarate, Ximena; Schott, Eduardo; Farha, Omar K.; Hupp, Joseph T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2880 - 2890
• a: 18.3045 ± 0.0004 Å
• b: 24.0896 ± 0.0006 Å
• c: 14.0301 ± 0.0003 Å
• α: 90°
• β: 97.598 ± 0.002°
• γ: 90°
• Cell volume: 6132.2 ± 0.2 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 99.98 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No