Information card for entry 7044394

Structure parameters

• Formula: C102 H106 N12 O20 S Zn2
• Calculated formula: C90.3 H78.3 N8.1 O16.1 S Zn2
• Title of publication: The mixed-ligand strategy to assemble a microporous anionic metal-organic framework: Ln3+ post-functionalization, sensors and selective adsorption of dyes
• Authors of publication: Guo, Mingming; Liu, Siyu; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Deng, Ruiping
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.5628 ± 0.0009 Å
• b: 15.831 ± 0.001 Å
• c: 24.5816 ± 0.0016 Å
• α: 93.41 ± 0.001°
• β: 95.78 ± 0.002°
• γ: 104.908 ± 0.001°
• Cell volume: 5054.3 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No