Information card for entry 4321187

Structure parameters

• Formula: C66 H107 B O11 Yb Zr2
• Calculated formula: C66 H107 B O11 Yb Zr2
• SMILES: [Yb]123([O]4(C(C)C)[Zr]5([O]1(C(C)C)[Zr]4([O]2C(C)C)([O]5C(C)C)(OC(C)C)OC(C)C)([O]3C(C)C)(OC(C)C)OC(C)C)([O]1CCCC1)[O]1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Synthesis of Arene-Soluble Dizirconium Nonaisopropoxide Lanthanide Cations Involving Divalent Ytterbium
• Authors of publication: William J. Evans; Matthew A. Johnston; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3421 - 3423
• a: 16.2654 ± 0.0007 Å
• b: 19.833 ± 0.0009 Å
• c: 21.6504 ± 0.001 Å
• α: 90°
• β: 91.773 ± 0.001°
• γ: 90°
• Cell volume: 6980.9 ± 0.5 ų
• Cell temperature: 158 K
• Ambient diffraction temperature: 158 K
• Number of distinct elements: 6
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No