Information card for entry 2103793

Structure parameters

• Chemical name: bis(Tetra-n-butylammonium) tetrabromo-uranyl
• Formula: C32 Br4 N2 O2 U
• Calculated formula: C32 H72 Br4 N2 O2 U
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.O=[U](Br)(Br)(=O)(Br)Br.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 17.731 ± 0.015 Å
• b: 14.681 ± 0.015 Å
• c: 17.08 ± 0.02 Å
• α: 90°
• β: 104.8 ± 0.08°
• γ: 90°
• Cell volume: 4299 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0106
• Residual factor for significantly intense reflections: 0.0102
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.568
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No