Information card for entry 4101828

Structure parameters

• Formula: C23 H14 Br N3 O4 Zn
• Calculated formula: C23 H14 Br N3 O4 Zn
• 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: 11.6151 ± 0.0011 Å
• b: 15.648 ± 0.001 Å
• c: 18.163 ± 0.003 Å
• α: 90°
• β: 93.202 ± 0.01°
• γ: 90°
• Cell volume: 3296 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.2624
• Weighted residual factors for all reflections included in the refinement: 0.2873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No