Information card for entry 7236057

Structure parameters

• Formula: C54 H25 N10 O20 Tb3
• Calculated formula: C54 H25 N10 O20 Tb3
• Title of publication: An unusual bifunctional Tb-MOF for highly sensitive sensing of Ba2+ ions and with remarkable selectivities for CO2‒N2 and CO2‒CH4
• Authors of publication: Yang, Yan; Jiang, Feilong; Chen, Lian; Pang, Jiandong; Wu, Mingyan; Wan, Xiuyan; Pan, Jie; Qian, Jinjie; Hong, Maochun
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 25
• Pages of publication: 13526
• a: 15.1173 ± 0.0004 Å
• b: 16.7483 ± 0.0008 Å
• c: 16.9101 ± 0.0006 Å
• α: 110.566 ± 0.004°
• β: 90.03 ± 0.003°
• γ: 100.933 ± 0.003°
• Cell volume: 3925.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No