Information card for entry 2206441

Structure parameters

• Chemical name: Tetrapyridinium tetrasulfatozirconate(IV) monohydrate
• Formula: C20 H26 N4 O17 S4 Zr
• Calculated formula: C20 H26 N4 O17 S4 Zr
• SMILES: c1cccc[nH+]1.c1cccc[nH+]1.c1[nH+]cccc1.O1S(=O)(=O)O[Zr]2341(OS(=O)(O3)=O)(OS(=O)(=O)O4)OS(=O)(=O)O2.O.c1cccc[nH+]1
• Title of publication: Tetrapyridinium tetrasulfatozirconate(IV) monohydrate
• Authors of publication: Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1520 - m1522
• a: 11.355 ± 0.001 Å
• b: 17.568 ± 0.002 Å
• c: 16.102 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3212.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes