Information card for entry 7049530

Structure parameters

• Formula: C80 H106.67 B4 O4 U1.33
• Calculated formula: C80 H106.667 B4 O4 U1.33333
• 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: 13.845 ± 0.0002 Å
• b: 14.9545 ± 0.0002 Å
• c: 31.694 ± 0.0004 Å
• α: 90°
• β: 96.521 ± 0.001°
• γ: 90°
• Cell volume: 6519.63 ± 0.15 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No