Information card for entry 4305462

Structure parameters

• Formula: C17 H18 N10 O8 U
• Calculated formula: C17 H18 N10 O8 U
• SMILES: [U]1234(=O)(=O)(ON(=[O]1)=O)(ON(=[O]2)=O)[n]1c(cccc1c1[n]3nc(c(n1)C)C)c1[n]4nc(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: 8.7996 ± 0.0004 Å
• b: 9.2294 ± 0.0005 Å
• c: 15.522 ± 0.0009 Å
• α: 104.861 ± 0.003°
• β: 98.721 ± 0.002°
• γ: 102.41 ± 0.003°
• Cell volume: 1161.09 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0433
• 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