Information card for entry 7240573

Structure parameters

• Formula: C26 H19 Cd N7 O8
• Calculated formula: C26 H15 Cd N7 O6
• Title of publication: R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs
• Authors of publication: Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 16.1586 ± 0.0006 Å
• b: 13.6399 ± 0.0006 Å
• c: 24.0329 ± 0.0008 Å
• α: 90°
• β: 95.622 ± 0.003°
• γ: 90°
• Cell volume: 5271.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No