Information card for entry 4113652

Structure parameters

• Formula: C57 H87 N6 O3 U
• Calculated formula: C57 H87 N6 O3 U
• Title of publication: Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III) Center with a Single Pocket for Reactivity
• Authors of publication: Ingrid Castro-Rodriguez; Kristian Olsen; Peter Gantzel; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4565 - 4571
• a: 15.5674 ± 0.0015 Å
• b: 38.892 ± 0.004 Å
• c: 9.4511 ± 0.0009 Å
• α: 90°
• β: 93.495 ± 0.002°
• γ: 90°
• Cell volume: 5711.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No