Information card for entry 7054810

Structure parameters

• Chemical name: 1.THF
• Formula: C38 H68 N O Si2 U
• Calculated formula: C38 H68 N O Si2 U
• SMILES: [U]123456789%10%11([CH]%12=[CH]5[C]2([Si](C(C)C)(C(C)C)C(C)C)=[CH]4[CH]7=[CH]8[CH]6=[C]1%12[Si](C(C)C)(C(C)C)C(C)C)([O]1CCCC1)N1[C]3(=[C]%10([C]%11(=[C]91C)C)C)C
• Title of publication: Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands
• Authors of publication: Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7602
• a: 11.8517 ± 0.0002 Å
• b: 14.9317 ± 0.0002 Å
• c: 22.2479 ± 0.0003 Å
• α: 90°
• β: 91.366 ± 0.002°
• γ: 90°
• Cell volume: 3936 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No