Information card for entry 7049539

Structure parameters

• Formula: C48 H100 B N3 O Si6 U
• Calculated formula: C48 H100 B N3 O Si6 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: 18.9897 ± 0.0002 Å
• b: 17.1462 ± 0.0002 Å
• c: 36.7532 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11966.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No