Information card for entry 7713987

Structure parameters

• Formula: C26 H59 N3 Si6 U
• Calculated formula: C26 H59 N3 Si6 U
• SMILES: [U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)C#Cc1ccccc1
• 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: 24.0544 ± 0.0017 Å
• b: 12.1363 ± 0.0008 Å
• c: 13.6142 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3974.4 ± 0.5 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No