Information card for entry 7044493

Structure parameters

• Formula: C51.75 H58.5 N2 O14 Tb
• Calculated formula: C36.75 H30.5 O10 Tb
• Title of publication: Photochromism, photoluminescence modulation and selective recognition of small molecules of two highly stable dynamic metal‒organic frameworks
• Authors of publication: Gong, Yun-Nan; Wei, Xue-Wen; Deng, Ji-Hua; Zhong, Di-Chang; Pan, Chun-Yang
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 26.3408 ± 0.0009 Å
• b: 14.8489 ± 0.0005 Å
• c: 27.2678 ± 0.0014 Å
• α: 90°
• β: 113.459 ± 0.005°
• γ: 90°
• Cell volume: 9783.8 ± 0.8 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: 0.0747
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No