Information card for entry 2233624

Structure parameters

• Chemical name: Poly[[aqua-μ~6~-benzene-1,2,3-tricarboxylato-μ~3~-hydroxido-dizinc] hemihydrate]
• Formula: C9 H7 O8.5 Zn2
• Calculated formula: C9 H7 O8.5 Zn2
• Title of publication: Poly[[aqua-μ~6~-benzene-1,2,3-tricarboxylato-μ~3~-hydroxido-dizinc] hemihydrate]
• Authors of publication: Ma, Chao-Hong; Liu, Qiang; Wang, Xiu-Yan; Dong, Xian-Wu; Li, Yu-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m103 - m104
• a: 12.8412 ± 0.0002 Å
• b: 12.8412 ± 0.0002 Å
• c: 27.2647 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4495.85 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes