Information card for entry 4330952

Structure parameters

• Formula: C51 H100 Li O4 Si3 Tm
• Calculated formula: C51 H100 Li O4 Si3 Tm
• SMILES: [Tm]1234(C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)[c]5([c]4([c]3([c]2([c]15CCC)CCC)CCC)CCC)c1ccccc1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O](CC)CC
• Title of publication: Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application
• Authors of publication: Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11941 - 11948
• a: 13.444 ± 0.003 Å
• b: 24.242 ± 0.005 Å
• c: 18.393 ± 0.004 Å
• α: 90°
• β: 100.1 ± 0.03°
• γ: 90°
• Cell volume: 5902 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No