Information card for entry 4101823

Structure parameters

• Formula: C47 H26 N3 O9 Zn2
• Calculated formula: C47 H26 N3 O9 Zn2
• Title of publication: Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block
• Authors of publication: Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 950 - 952
• a: 14.008 ± 0.003 Å
• b: 11.521 ± 0.0013 Å
• c: 15.701 ± 0.003 Å
• α: 90°
• β: 96.679 ± 0.01°
• γ: 90°
• Cell volume: 2516.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.3567
• Weighted residual factors for all reflections included in the refinement: 0.3954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.546
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No