Information card for entry 7054809

Structure parameters

• Chemical name: 1
• Formula: C68 H120 N2 Si4 U2
• Calculated formula: C68 H120 N2 Si4 U2
• SMILES: [U]12345678([CH]9=[CH]6[C]7([Si](C(C)C)(C(C)C)C(C)C)=[CH]5[CH]2=[CH]4[CH]3=[C]89[Si](C(C)C)(C(C)C)C(C)C)[N]2([U]3456789([N]1%10C(=C(C(=C%10C)C)C)C)[C]1([Si](C(C)C)(C(C)C)C(C)C)=[CH]7[CH]5=[C]8([Si](C(C)C)(C(C)C)C(C)C)[CH]3=[CH]6[CH]4=[CH]91)C(=C(C(=C2C)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: 12.5424 ± 0.0001 Å
• b: 22.7691 ± 0.0003 Å
• c: 24.9695 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7130.77 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No