Information card for entry 4313712

Structure parameters

• Formula: C48 H59 O5 Y
• Calculated formula: C48 H59 O5 Y
• SMILES: [Y]12([O](C)c3ccccc3c3cccc(c23)c2ccccc2[O]1C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Donor-Functionalized Lanthanide Terphenyl Complexes: Synthesis and Structural Characterization of 2,6-Di(o-anisol)phenyl Compounds of Ytterbium, Yttrium, and Samarium
• Authors of publication: Gerd W. Rabe; Mei Zhang-Presse; Florian A. Riederer; Glenn P. A. Yap
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3527 - 3533
• a: 9.2978 ± 0.001 Å
• b: 19.631 ± 0.002 Å
• c: 24.81 ± 0.003 Å
• α: 87.042 ± 0.002°
• β: 84.74 ± 0.002°
• γ: 81.056 ± 0.002°
• Cell volume: 4451.3 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No