Information card for entry 7217663

Structure parameters

• Formula: B16 H14 Na6 O48 U
• Calculated formula: B16 H14 Na6 O48 U
• SMILES: [U]12345(=O)(=O)[O]6[B]78[O]4[B]4(OB(O[B]9([O]3[B]3([O]2[B]2(OB(O[B]%10(O[B]%11([O]1[B]6(OB(O%11)[O-])OB(O8)[O-])OB(O%10)[O-])[O]52)[O-])OB(O3)[O-])OB([O-])O9)O4)[O-])OB(O7)[O-].O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate
• Authors of publication: Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 65
• Pages of publication: 34244
• a: 14.736 ± 0.003 Å
• b: 11.765 ± 0.002 Å
• c: 23.928 ± 0.005 Å
• α: 90°
• β: 105.91 ± 0.03°
• γ: 90°
• Cell volume: 3989.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No