Information card for entry 7110588

Structure parameters

• Formula: C33 H64 N4 Si3 U
• Calculated formula: C33 H64 N4 Si3 U
• SMILES: [U]123(N([Si](C)(C)C(C)(C)C)CC[N]1(CCN3[Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C)C#Cc1ccc(cc1)C
• Title of publication: Structure and reactions of a metallacyclic complex containing a remarkably long uranium‒carbon bond
• Authors of publication: Boaretto, Rita; Roussel, Paul; Kingsley, Andrew J.; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1701
• a: 17.3244 ± 0.001 Å
• b: 12.7945 ± 0.001 Å
• c: 18.6257 ± 0.0015 Å
• α: 90°
• β: 97.709 ± 0.001°
• γ: 90°
• Cell volume: 4091.2 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No