Information card for entry 4064328

Structure parameters

• Formula: C62 H80 K N4 Si Sm
• Calculated formula: C62 H80 K N4 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=CN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[K+]
• 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: 14.0691 ± 0.0005 Å
• b: 18.4893 ± 0.0006 Å
• c: 24.9718 ± 0.0008 Å
• α: 90°
• β: 92.12 ± 0.001°
• γ: 90°
• Cell volume: 6491.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No