Information card for entry 4105597

Structure parameters

• Formula: C124 H124 Ce Li O4 Si4
• Calculated formula: C124 H124 Ce Li O4 Si4
• SMILES: [Ce]123456789%10%11%12%13%14([C]%15([Si](c%16ccccc%16)(c%16ccccc%16)c%16ccccc%16)=[CH]1[CH]2=[CH]3[CH]4=[C]5([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]6=[CH]7%15)[CH]1=[CH]8[CH]9=[CH]%10[C]%11([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=[CH]%12[CH]%13=[C]1%14[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Li]12([O](C)CC[O]1C)[O](C)CC[O]2C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands
• Authors of publication: Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1257 - 1259
• a: 14.375 ± 0.006 Å
• b: 14.42 ± 0.006 Å
• c: 28.45 ± 0.007 Å
• α: 88.31 ± 0.03°
• β: 82.44 ± 0.03°
• γ: 63.69 ± 0.03°
• Cell volume: 5238 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No