Information card for entry 4345673

Structure parameters

• Formula: C28 H72 O4 Si8 Sm
• Calculated formula: C28 H72 O4 Si8 Sm
• SMILES: C[Si](C)(C)[Si]1([Si](C)(C)C)[Si](C)(C)[O]2[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Sm]12([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.
• Authors of publication: Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 15.491 ± 0.004 Å
• b: 18.84 ± 0.005 Å
• c: 16.136 ± 0.004 Å
• α: 90°
• β: 103.266 ± 0.004°
• γ: 90°
• Cell volume: 4584 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No