Information card for entry 4329555

Structure parameters

• Formula: C288 H168 Cl6 Fe6 N24 O150 Zr18
• Calculated formula: C288 H168 Cl6 Fe6 N24 O150 Zr18
• 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: 42.68 ± 0.006 Å
• b: 42.68 ± 0.006 Å
• c: 16.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26282 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.9201 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No