Information card for entry 7049534

Structure parameters

• Formula: C36 H76 B N3 O Si6 U
• Calculated formula: C36 H76 B N3 O Si6 U
• SMILES: [U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(OB(c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)N([Si](C)(C)C)[Si](C)(C)C
• 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: 12.0703 ± 0.0002 Å
• b: 13.1641 ± 0.0002 Å
• c: 15.6746 ± 0.0003 Å
• α: 102.222 ± 0.002°
• β: 98.27 ± 0.001°
• γ: 90.122 ± 0.001°
• Cell volume: 2407.48 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No