Information card for entry 4069936

Structure parameters

• Formula: C54 H92 O2 Si2 Yb2
• Calculated formula: C54 H92 O2 Si2 Yb2
• SMILES: [O]1([Yb]23456789([c]%10([cH]2[cH]3[c]234[c]4([cH]%11[cH]%12[c]9%102[Yb]29%10%1334%11%12([O]3CCCC3)[c]3([c]2([c]9([c]%10([c]%133C)C)C)C)C)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[c]2([c]5([c]6([c]7([c]82C)C)C)C)C)CCCC1
• Title of publication: Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers
• Authors of publication: Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5896
• a: 12.0652 ± 0.0004 Å
• b: 16.9479 ± 0.0005 Å
• c: 13.3213 ± 0.0004 Å
• α: 90°
• β: 92.64 ± 0.002°
• γ: 90°
• Cell volume: 2721.05 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No