Information card for entry 7054813

Structure parameters

• Common name: 4
• Chemical name: 4
• Formula: C70 H120 N2 O5 Si4 U2
• Calculated formula: C70 H120 N2 O5 Si4 U2
• SMILES: C1(n2c(c(c(c2C)C)C)C)=[O][U]23456789([C]%10(=[CH]8[CH]7=[CH]6[CH]5=[C]4([CH]3=[CH]2%10)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)O[U]2345678([C]%10(=[CH]8[CH]7=[CH]6[CH]5=[C]4([CH]3=[CH]2%10)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)(O1)[O]=C(n1c(c(c(c1C)C)C)C)O9
• 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: 12.961 ± 0.0009 Å
• b: 14.6337 ± 0.001 Å
• c: 22.2106 ± 0.0016 Å
• α: 97.035 ± 0.006°
• β: 97.053 ± 0.006°
• γ: 102.983 ± 0.007°
• Cell volume: 4024.5 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No