Information card for entry 7231218

Structure parameters

• Chemical name: [(phenyl-1,3,5-tricarboxylate)tetraaquasodium(I)zinc(II)] sesquihydrate
• Formula: C9 H14 Na O11.5 Zn
• Calculated formula: C9 H14 Na O11.5 Zn
• Title of publication: Synthesis of Zn-based metal‒organic frameworks in ionic liquid microemulsions at room temperature
• Authors of publication: Ye, Ranfeng; Ni, Min; Xu, Yuanyuan; Chen, Hao; Li, Shengqing
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 46
• Pages of publication: 26237
• a: 7.098 ± 0.0011 Å
• b: 9.8 ± 0.0016 Å
• c: 11.2043 ± 0.0017 Å
• α: 66.923 ± 0.002°
• β: 73.598 ± 0.002°
• γ: 84.72 ± 0.003°
• Cell volume: 687.68 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No