Information card for entry 7049537

Structure parameters

• Formula: C94 H147.98 B3 O4 U
• Calculated formula: C94 H147.98 B3 O4 U
• Title of publication: Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.
• Authors of publication: Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4894 - 4905
• a: 16.5344 ± 0.0007 Å
• b: 27.8539 ± 0.0008 Å
• c: 20.2709 ± 0.0007 Å
• α: 90°
• β: 97.88 ± 0.004°
• γ: 90°
• Cell volume: 9247.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.1509
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No