Information card for entry 4309167

Structure parameters

• Formula: C77 H116 O12 Yb2
• Calculated formula: C77 H116 O12 Yb2
• SMILES: [Yb]12([OH][Yb]3([O]2Cc2ccccc2)(Oc2c(cc(cc2Cc2c(O3)c(cc(c2)C)C(C)(C)C)C)C(C)(C)C)([O]2CCCC2)[O]2CCCC2)(Oc2c(cc(cc2Cc2c(O1)c(cc(c2)C)C(C)(C)C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone
• Authors of publication: Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5133 - 5140
• a: 14.4866 ± 0.0003 Å
• b: 15.2484 ± 0.0007 Å
• c: 20.2785 ± 0.001 Å
• α: 87.215 ± 0.005°
• β: 70.035 ± 0.004°
• γ: 66.052 ± 0.004°
• Cell volume: 3826.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No