Information card for entry 4077668

Structure parameters

• Formula: C47 H82 B20 Li O6 Yb
• Calculated formula: C47 H82 B20 Li O6 Yb
• SMILES: [Yb]123456789%10([C]%11%12%13%14[C]%15%16%17(C(C)(C)[c]%181[cH]2[c@H]3[c]15[c]4%18cccc1)[BH]12%11[BH]34%12[BH]5%11%13[BH]%12%14%15[BH]%13%14%17[BH]%15%161[BH]123[BH]2%13%15[BH]451[BH]%11%12%142)[C]1234[C]5%11%12(C(C)(C)[c]%136[cH]7[cH]8[c]6%10cccc[c]9%136)[BH]671[BH]182[BH]293[BH]345[BH]45%12[BH]%10%117[BH]761[BH]189[BH]234[BH]5%1071.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.c1(ccccc1)C
• Title of publication: Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry
• Authors of publication: Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 334
• a: 12.716 ± 0.003 Å
• b: 21.471 ± 0.004 Å
• c: 22.011 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6010 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No