Information card for entry 4305460

Structure parameters

• Formula: C18 H16.5 F6 N7.5 O8 S2 U
• Calculated formula: C18 H16.5 F6 N7.5 O8 S2 U
• SMILES: [U]12(=O)(=O)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[n]3c(cccc3c3[n]1nc(c(n3)C)C)c1[n]2nc(c(n1)C)C.N#CC
• Title of publication: Sterically Congested Uranyl Complexes with Seven-Coordination of the UO2 Unit: the Peculiar Ligation Mode of Nitrate in [UO2(NO3)2(Rbtp)] Complexes
• Authors of publication: Jean-Claude Berthet; Pierre Thuéry; Jean-Pierre Dognon; Denis Guillaneux; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6850 - 6862
• a: 14.3757 ± 0.0006 Å
• b: 25.5931 ± 0.0016 Å
• c: 15.2088 ± 0.001 Å
• α: 90°
• β: 100.7 ± 0.004°
• γ: 90°
• Cell volume: 5498.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No