Information card for entry 7054812

Structure parameters

• Chemical name: 3.THF
• Formula: C38 H68 As O Si2 U
• Calculated formula: C38 H68 As O Si2 U
• SMILES: [C]12([As]3[C]4(=[C]5([C]=1(C)[U]16789%10%112345([C]2(=[CH]1[CH]6=[C]7([CH]8=[CH]9[CH]%10=[CH]%112)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[O]1CCCC1)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: 11.9699 ± 0.0002 Å
• b: 14.9384 ± 0.0002 Å
• c: 22.3338 ± 0.0004 Å
• α: 90°
• β: 90.538 ± 0.001°
• γ: 90°
• Cell volume: 3993.36 ± 0.11 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: 0.0686
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No