Information card for entry 7038033

Structure parameters

• Formula: C72 H76 O4 P2 S2 Si2 U
• Calculated formula: C72 H76 O4 P2 S2 Si2 U
• SMILES: O([U]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1ccccc1)(O[Si](C)(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1)[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Reductive silylation of Cp*UO2((Mes)PDI(Me)) promoted by Lewis bases.
• Authors of publication: Kiernicki, J. J.; Harwood, J. S.; Fanwick, P. E.; Bart, S. C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3111 - 3119
• a: 22.9048 ± 0.0007 Å
• b: 11.6124 ± 0.0004 Å
• c: 25.6316 ± 0.0008 Å
• α: 90°
• β: 95.099 ± 0.002°
• γ: 90°
• Cell volume: 6790.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No