Information card for entry 4114930

Structure parameters

• Formula: C54 H69 N3 Na O U
• Calculated formula: C54 H69 N3 Na O U
• Title of publication: Diuranium Inverted Sandwiches Involving Naphthalene and Cyclooctatetraene
• Authors of publication: Paula L. Diaconescu; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7660 - 7661
• a: 11.4758 ± 0.001 Å
• b: 23.639 ± 0.002 Å
• c: 19.4963 ± 0.0018 Å
• α: 90°
• β: 102.527 ± 0.002°
• γ: 90°
• Cell volume: 5163 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No