Information card for entry 4064326

Structure parameters

• Formula: C112 H140 K2 N8 O4 Si2 Sm2
• Calculated formula: C112 H140 K2 N8 O4 Si2 Sm2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[Si](N(c2c(C(C)C)cccc2C(C)C)[Sm]2341[N]1(c5ccccc5)[N]4(c4ccccc4)[Sm]451(N(c1c(cccc1C(C)C)C(C)C)[Si](N5c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)[N]3([N]24c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C1CCC[O]1[K][O]1CCCC1.C1CCC[O]1[K][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: 13.8271 ± 0.0007 Å
• b: 20.2272 ± 0.001 Å
• c: 18.5263 ± 0.001 Å
• α: 90°
• β: 95.661 ± 0.001°
• γ: 90°
• Cell volume: 5156.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No