Information card for entry 7709565

Structure parameters

• Formula: C96 H382 N76 O2 S93 Sn24 Zn26
• Calculated formula: O1.9998 S93 Sn24 Zn26
• Title of publication: Two new metal-chalcogenide-cluster-based frameworks with single metal ions of Zn2+(/Sb3+) serving as inter-cluster linkers
• Authors of publication: Liu, Chengdong; Ding, Yayun; Wang, Xiang; Zhou, Rui
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 28.337 ± 0.0012 Å
• b: 28.337 ± 0.0012 Å
• c: 87.124 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 60587 ± 5 ų
• Cell temperature: 120.02 K
• Ambient diffraction temperature: 120.02 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No