Information card for entry 4343008

Structure parameters

• Formula: C72 H38 O16 Zr3
• Calculated formula: C72 H32 O16 Zr3
• Title of publication: Postsynthetic Modification of an Alkyne-Tagged Zirconium Metal-Organic Framework via a "Click" Reaction.
• Authors of publication: Li, Bijian; Gui, Bo; Hu, Guiping; Yuan, Daqiang; Wang, Cheng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5139 - 5141
• a: 32.7304 ± 0.0006 Å
• b: 32.7304 ± 0.0006 Å
• c: 32.7304 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35063.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.3164
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.549
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No