Information card for entry 7037222

Structure parameters

• Formula: C14 H20 O14 U2
• Calculated formula: C14 H10 O10 U2
• Title of publication: Complexation of U(vi) with benzoic acid at variable temperatures (298-353 K): thermodynamics and crystal structures of U(vi)/benzoate complexes.
• Authors of publication: Yang, Yanqiu; Teat, Simon J.; Zhang, Zhicheng; Luo, Shunzhong; Rao, Linfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 384 - 391
• a: 38.41 ± 0.007 Å
• b: 38.41 ± 0.007 Å
• c: 8.7096 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11128 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No