Information card for entry 4132861

Structure parameters

• Formula: C24 H12 N4 O16 Zr3
• Calculated formula: C24 H12 N4 O16 Zr3
• Title of publication: Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.
• Authors of publication: Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 32
• Pages of publication: 10153 - 10157
• a: 21.19 ± 0.005 Å
• b: 21.19 ± 0.005 Å
• c: 18.91 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8491 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.3303
• Weighted residual factors for all reflections included in the refinement: 0.3753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation wavelength: 0.71656 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No