Information card for entry 4105957

Structure parameters

• Formula: C183 H249 F10 Mn N41 O39 Pd Zn2
• Calculated formula: C90 H32 F10 Mn N10 O8 Pd Zn2
• Title of publication: Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials
• Authors of publication: Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5652 - 5655
• a: 16.5671 ± 0.0005 Å
• b: 16.5864 ± 0.0005 Å
• c: 22.1775 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6094.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No