Information card for entry 7117081

Structure parameters

• Formula: C44 H32 Br2 Cd2 N4 O8
• Calculated formula: C44 H32 Br2 Cd2 N4 O8
• Title of publication: Ammonia detection by using flexible Lewis acidic sites in luminescent porous frameworks constructed from a bipyridinium derivative
• Authors of publication: Cheng Chen; Li-Xuan Cai; Bin Tan; Ya-Jun Zhang; Xiao-Dong Yang; Jie Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8189
• a: 9.0867 ± 0.0007 Å
• b: 18.0356 ± 0.001 Å
• c: 18.8207 ± 0.0012 Å
• α: 102.462 ± 0.005°
• β: 103.387 ± 0.007°
• γ: 100.625 ± 0.006°
• Cell volume: 2839.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No