Information card for entry 4064329

Structure parameters

• Formula: C68 H94 K N4 O Si Sm
• Calculated formula: C68 H94 K N4 O Si Sm
• SMILES: [Sm]12(N([Si](N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N(C(=C(N2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[K+].C(C)OCC
• Title of publication: Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations
• Authors of publication: Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2252
• a: 15.1405 ± 0.0006 Å
• b: 17.3825 ± 0.0007 Å
• c: 25.3515 ± 0.001 Å
• α: 90°
• β: 95.088 ± 0.001°
• γ: 90°
• Cell volume: 6645.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No