Information card for entry 7042949

Structure parameters

• Formula: C106 H110 Cd2 N9 Na O38
• Calculated formula: C84 H36 Cd2 Na O24
• Title of publication: Two bilayer metal−organic frameworks with rare trinuclear heterometal clusters and tunable photoluminescence
• Authors of publication: Gong, Yun-Nan; Wei, Xue-Wen; He, Lv-Heng; Wen, Ya-Qiong; Ren, Ya-Wen; Xie, Yong-Rong; Zhong, Di-Chang
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.546 ± 0.002 Å
• b: 21.3217 ± 0.001 Å
• c: 35.974 ± 0.002 Å
• α: 90°
• β: 99.105 ± 0.009°
• γ: 90°
• Cell volume: 13288.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.3633
• Weighted residual factors for all reflections included in the refinement: 0.3795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No