Information card for entry 4064330

Structure parameters

• Formula: C96 H136 K N4 O6 Si2 Sm
• Calculated formula: C96 H134 K N4 O6 Si2 Sm
• SMILES: [Sm]12(N([Si]([N]1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N([Si](N2c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 27.8688 ± 0.0004 Å
• b: 27.8688 ± 0.0004 Å
• c: 23.52 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18267.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No