Information card for entry 4330954

Structure parameters

• Formula: C57 H63 Lu O5
• Calculated formula: C57 H63 Lu O5
• SMILES: [Lu]123456([O]=C(C=C(O1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)([O]1CCCC1)[c]1([c]3([c]4([c]5([c]61CCC)CCC)CCC)CCC)c1ccccc1
• 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: 13.627 ± 0.003 Å
• b: 16.234 ± 0.003 Å
• c: 23.257 ± 0.005 Å
• α: 90°
• β: 105.18 ± 0.03°
• γ: 90°
• Cell volume: 4965.4 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No