Information card for entry 7706529

Structure parameters

• Formula: C30 H26 Cu N5 O4
• Calculated formula: C30 H25.75 Cu N5 O4
• 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: 18.1598 ± 0.0014 Å
• b: 24.203 ± 0.002 Å
• c: 13.945 ± 0.0011 Å
• α: 90°
• β: 97.387 ± 0.003°
• γ: 90°
• Cell volume: 6078.3 ± 0.8 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 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: 0.0842
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No