Information card for entry 7054814

Structure parameters

• Chemical name: 5
• Formula: C70 H120 O5 P2 Si4 U2
• Calculated formula: C70 H120 O5 P2 Si4 U2
• SMILES: [U]123456789(O[U]%10%11%12%13%14%15%16([O]=C(P%17C(=C(C(=C%17C)C)C)C)O1)([O]=C(P1C(=C(C(=C1C)C)C)C)O2)[C]1(=[CH]%11[CH]%12=[C]%13([Si](C(C)C)(C(C)C)C(C)C)[CH]%14=[CH]%15[CH]%16=[CH]%101)[Si](C(C)C)(C(C)C)C(C)C)[C]1(=[CH]4[CH]5=[C]6([CH]7=[CH]8[CH]9=[CH]31)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)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: 22.3131 ± 0.0004 Å
• b: 15.0442 ± 0.0003 Å
• c: 22.7699 ± 0.0004 Å
• α: 90°
• β: 96.826 ± 0.001°
• γ: 90°
• Cell volume: 7589.3 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No