Information card for entry 4076715

Structure parameters

• Formula: C50 H92 B22 Li N2 O4 Yb
• Calculated formula: C50 H92 B22 Li N2 O4 Yb
• SMILES: [Yb]123456789%10([C]%11%12%13%14[BH]%15%16%17[BH]%18%19%11[BH]%11%20%12[BH]%12%21%13[BH]%13%22%20[BH]%20%19%11[BH]%11%16%18[BH]%16%18%15[BH]%12%13([BH]%22%20%11%16)[C]%14%17%21%18B(N(C(C)C)C(C)C)[c]%111[c]14cccc[c]51[cH]3[cH]2%11)[c]1(B(N(C(C)C)C(C)C)[C]2345[BH]%11%12%13[BH]%14%15%16[BH]%17%18%19[BH]%202([BH]2%21%18[BH]%18%15%17[BH]%15%12%14[BH]%123%11[BH]4%202[BH]%21%18%15%12)[C]75%13%16%19)[cH]6[cH]8[c]2%10cccc[c]912.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†
• Authors of publication: Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1136
• a: 14.662 ± 0.004 Å
• b: 12.708 ± 0.004 Å
• c: 36.851 ± 0.011 Å
• α: 90°
• β: 93.739 ± 0.006°
• γ: 90°
• Cell volume: 6852 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.252
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No