Information card for entry 4076713

Structure parameters

• Formula: C46 H90 B22 Li N2 O6 Yb
• Calculated formula: C46 H90 B22 Li N2 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%21[BH]%21%20%12[BH]%12%19%11[BH]%11%16%18[BH]%17%13%14[BH]%15%21%12%11)B(N(C(C)C)C(C)C)[c]%111[cH]3[cH]5[c]19[c]8%11cccc1)[C]1358[C]9%11%12([BH]%13%141[BH]1%153[BH]3%165[BH]589[BH]89%16[BH]%16%153[BH]3%141[BH]1%11%13[BH]8%163[BH]%12591)B(N(C(C)C)C(C)C)[c]12[cH]4[cH]6[c]2%10cccc[c]712.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 22.2311 ± 0.001 Å
• b: 21.2643 ± 0.001 Å
• c: 27.965 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13219.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No