Information card for entry 2211887

Structure parameters

• Chemical name: Pentakis(ethane-1,2-diammonium) aquapentasulfato-κ^3^O,κ^4^O,O')zirconate(IV) diaquatetrasulfato-κ^2^O,κ^4^O,O')zirconate(IV)
• Formula: C10 H56 N10 O39 S9 Zr2
• Calculated formula: C10 H56 N10 O39 S9 Zr2
• Title of publication: Pentakis(ethane-1,2-diammonium) aquapentasulfato-κ^3^<i>O</i>;κ^4^<i>O</i>,<i>O</i>'-zirconate(IV) diaquatetrasulfato-κ^2^<i>O</i>;κ^4^<i>O</i>,<i>O</i>'-zirconate(IV)
• Authors of publication: Xu, Zhi-Wei; Fu, Yun-Long; Teng, Song-Qing; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m140 - m142
• a: 14.66 ± 0.001 Å
• b: 16.845 ± 0.001 Å
• c: 17.887 ± 0.001 Å
• α: 90°
• β: 93.298 ± 0.002°
• γ: 90°
• Cell volume: 4409.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes