Information card for entry 4080351

Structure parameters

• Formula: C57 H83 N2 O Si2 Yb
• Calculated formula: C57 H83 N2 O Si2 Yb
• SMILES: [Yb]12345678([O]9CCCC9)([N](=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C]1(=[CH]2[CH]3=[C]4([CH]5=[CH]6[CH]7=[CH]81)[Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands
• Authors of publication: Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1435
• a: 12.529 ± 0.003 Å
• b: 32.137 ± 0.006 Å
• c: 14.071 ± 0.003 Å
• α: 90°
• β: 105.77 ± 0.03°
• γ: 90°
• Cell volume: 5452 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No