Information card for entry 4317704

Structure parameters

• Formula: C36 H49 Cl2 O3 Y
• Calculated formula: C36 H49 Cl2 O3 Y
• SMILES: [Y](Cl)(Cl)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)c1c(c2c(cc(cc2C)C)C)cccc1c1c(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: 15.95 ± 0.003 Å
• b: 11.865 ± 0.002 Å
• c: 18.254 ± 0.003 Å
• α: 90°
• β: 92.323 ± 0.003°
• γ: 90°
• Cell volume: 3451.7 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No