Information card for entry 7129421

Structure parameters

• Common name: UAM-2
• Formula: C18 H12 Cu2 I2 N8 O16 Zr3
• Calculated formula: C18 H12 Cu2 I2 N8 O16 Zr3
• Title of publication: Templated synthesis of zirconium(IV)-based metal-organic layers (MOLs) with accessible chelating sites
• Authors of publication: Gimeno-Fonquernie, Pol; Liang, W.; Albalad, Jorge; Kuznicki, Andrew; Price, Jason; Bloch, Eric D.; Doonan, Christian J.; Sumby, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 22.738 ± 0.003 Å
• b: 22.738 ± 0.003 Å
• c: 28.593 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14783 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2295
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No