Information card for entry 7122425

Structure parameters

• Formula: C7 H0 N7 O1.17 S2 Zn
• Calculated formula: C7 N7 O1.16667 S2 Zn
• Title of publication: A new strategy for constructing a disulfide-functionalized ZIF-8 analogue using structure-directing ligand-ligand covalent interaction.
• Authors of publication: Gai, Yanli; Chen, Xitong; Yang, Huajun; Wang, Yanxiang; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 85
• Pages of publication: 12109 - 12112
• a: 23.39 ± 0.007 Å
• b: 23.39 ± 0.007 Å
• c: 13.909 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6590 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No