Information card for entry 4102429

Structure parameters

• Formula: C44 H125 N8 Na O4 Si10 U2
• Calculated formula: C44 H123 N8 Na O4 Si10 U2
• SMILES: [Na]123([O](CC[O]2C)C)([O](CC[O]1C)C)[N](C)(CC[N]3(C)C)C.[Si](N([U]1(=N[U]2(N([Si](C)(C)C)[Si](C)(C)[CH2]12)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(C)(C)C
• Title of publication: Synthesis of a Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=O]+
• Authors of publication: Skye Fortier; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6888 - 6889
• a: 14.5468 ± 0.0009 Å
• b: 15.2501 ± 0.001 Å
• c: 17.7653 ± 0.0012 Å
• α: 102.369 ± 0.001°
• β: 90.138 ± 0.001°
• γ: 97.355 ± 0.001°
• Cell volume: 3816.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No