Information card for entry 4329554

Structure parameters

• Formula: C136 O32 Zr6
• Calculated formula: C135.84 O32 Zr6
• Title of publication: Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks
• Authors of publication: William Morris; Boris Volosskiy; Selcuk Demir; Felipe Gándara; Psaras L. McGrier; Hiroyasu Furukawa; Duilio Cascio; J. Fraser Stoddart; Omar M. Yaghi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6443 - 6445
• a: 19.41 ± 0.002 Å
• b: 19.41 ± 0.002 Å
• c: 19.41 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7312.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1865
• Residual factor for significantly intense reflections: 0.186
• Weighted residual factors for significantly intense reflections: 0.627
• Weighted residual factors for all reflections included in the refinement: 0.6287
• Goodness-of-fit parameter for all reflections included in the refinement: 3.851
• Diffraction radiation wavelength: 0.91033 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No