Information card for entry 4069938

Structure parameters

• Formula: C60 H108 O2 Si2 Sm2
• Calculated formula: C60 H108 O2 Si2 Sm2
• SMILES: [Sm]123456789%10%11([O]%12CCCC%12)([C]%12%13(=[CH]%147[Sm]7%15%16%17%18%19%20%21%22%12([O]%12CCCC%12)([CH]1%13=[CH]27[C]3%15([Si](C(C)C)(C(C)C)C(C)C)=[CH]4%16[CH]5%17=[CH]6%14%18)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)[Si](C(C)C)(C(C)C)C(C)C)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C.CCCCCC
• 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: 12.9282 ± 0.0003 Å
• b: 14.3909 ± 0.0005 Å
• c: 18.0915 ± 0.0005 Å
• α: 90°
• β: 93.106 ± 0.002°
• γ: 90°
• Cell volume: 3360.95 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No