Information card for entry 4350026

Structure parameters

• Formula: C48 H24 O28 Si Zn8
• Calculated formula: C48 H24 O28 Si Zn8
• Title of publication: Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n
• Authors of publication: Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1675
• a: 13.68397 ± 0.00019 Å
• b: 13.68397 ± 0.00019 Å
• c: 15.0654 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2821.01 ± 0.08 ų
• Cell temperature: 99.7 ± 0.6 K
• Ambient diffraction temperature: 99.7 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No