Information card for entry 4077705

Structure parameters

• Formula: C32 H70 B20 Li O6 Yb
• Calculated formula: C32 H69 B20 Li O6 Yb
• SMILES: [Yb]123456789%10([C]%11%12%13%14[C]%15%16%17([BH]%18%19%11[BH]%11%20%12[BH]%12%21%13[BH]%13%14%15[BH]%14%15%16[BH]%16%17%18[BH]%17%19%11[BH]%11%20%12[BH]%21%13%14[BH]%15%16%17%11)C(C)(C)[c]%111[cH]2[cH]3[cH]4[cH]5%11)[C]1234[C]5%11%12([BH]%13%141[BH]1%152[BH]2%163[BH]345[BH]45%11[BH]%11%12%13[BH]%12%141[BH]1%152[BH]%1634[BH]5%11%121)C(C)(C)[c]16[cH]7[cH]8[cH]9[cH]%101.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)
• Authors of publication: Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1391
• a: 9.91 ± 0.002 Å
• b: 28.006 ± 0.006 Å
• c: 17.547 ± 0.004 Å
• α: 90°
• β: 92.62 ± 0.03°
• γ: 90°
• Cell volume: 4864.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.044
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No