Information card for entry 4132860

Structure parameters

• Formula: C60 N8 O32 Zr6
• Calculated formula: C60 N8 O32 Zr6
• 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: 22.24 ± 0.005 Å
• b: 22.24 ± 0.005 Å
• c: 15.76 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7795 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1779
• Residual factor for significantly intense reflections: 0.1614
• Weighted residual factors for significantly intense reflections: 0.427
• Weighted residual factors for all reflections included in the refinement: 0.4507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.837
• Diffraction radiation wavelength: 0.82656 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No