Information card for entry 4317705

Structure parameters

• Formula: C40 H58 Cl2 Li O4 Yb
• Calculated formula: C40 H58 Cl2 Li O4 Yb
• SMILES: [Yb]1([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(OC(C)(C)C)([O]1CCCC1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structural Characterization of 2,6-Dimesitylphenyl Complexes of Scandium, Ytterbium, and Yttrium
• Authors of publication: Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap; Kin-Chung Lam; Thomas E. Concolino; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1446 - 1453
• a: 10.2252 ± 0.0002 Å
• b: 11.3497 ± 0.0002 Å
• c: 18.5814 ± 0.0002 Å
• α: 98.7353 ± 0.0006°
• β: 102.896 ± 0.0006°
• γ: 94.8058 ± 0.0005°
• Cell volume: 2062.09 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No