Information card for entry 7704423

Structure parameters

• Formula: C47 H31 Cd2 Cl N4 O13
• Calculated formula: C47 H31 Cd2 Cl N4 O13
• Title of publication: Photoresponsivity and antibiotic sensing properties of an entangled tris(pyridinium)-based metal-organic framework.
• Authors of publication: Li, Peng; Guo, Meng-Yue; Gao, Lu-Lu; Yin, Xue-Mei; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7488 - 7495
• a: 9.8438 ± 0.0002 Å
• b: 18.8552 ± 0.0003 Å
• c: 28.4652 ± 0.0005 Å
• α: 90°
• β: 93.139 ± 0.001°
• γ: 90°
• Cell volume: 5275.41 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No