Information card for entry 4334081

Structure parameters

• Formula: C52 H32 N6 O19 S2 U2 Zn
• Calculated formula: C52 H30 N6 O18.843 S2 U2 Zn
• Title of publication: Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies
• Authors of publication: Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2736 - 2743
• a: 12.8625 ± 0.0012 Å
• b: 13.1683 ± 0.0013 Å
• c: 17.2155 ± 0.0017 Å
• α: 72.216 ± 0.002°
• β: 71.658 ± 0.002°
• γ: 71.066 ± 0.001°
• Cell volume: 2550 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No