Information card for entry 7713988

Structure parameters

• Formula: C58.5 H121 N7 Si6 U
• Calculated formula: C58.5 H115 N7 Si6 U
• Title of publication: Dimerization and Ring-opening in Bis(diisopropylamino)cyclopropenylidene (BAC) Mediated by [U(NR2)3(CCPh)] (R = SiMe3)
• Authors of publication: Nguyen, Thien H.; Pauly, Christophe; Kent, Greggory; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.9806 ± 0.0013 Å
• b: 14.0897 ± 0.0011 Å
• c: 18.1942 ± 0.0015 Å
• α: 88.917 ± 0.004°
• β: 88.43 ± 0.004°
• γ: 89.36 ± 0.004°
• Cell volume: 3581.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No