Information card for entry 4330950

Structure parameters

• Formula: C51 H98 Ho Li O4 Si3
• Calculated formula: C51 H98 Ho Li O4 Si3
• SMILES: [Ho]1234(C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)[c]5([c]1([c]2([c]3([c]45CCC)CCC)CCC)CCC)c1ccccc1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 24.927 ± 0.005 Å
• b: 12.716 ± 0.003 Å
• c: 19.096 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6053 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No