Information card for entry 4077671

Structure parameters

• Formula: C54 H90 B20 Li O6 Yb
• Calculated formula: C54 H90 B20 Li O6 Yb
• SMILES: [Yb]123456789%10([C]%11%12%13%14[C]%15%16%17(C(C)(C)[c]%181[cH]2[cH]3[c]15[c]4%18cccc1)[BH]12%11[BH]34%15[BH]5%11%16[BH]%15%12%17[BH]%12%16%11[BH]%1145[BH]423[BH]2%131[BH]%14%15%12[BH]%16%1142)[C]1234[C]5%11%12(C(C)(C)[c]%136[cH]7[cH]8[c]6%10cccc[c]9%136)[BH]671[BH]185[BH]59%11[BH]%102%12[BH]2%119[BH]985[BH]571[BH]136[BH]4%102[BH]%11951.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.c1(ccccc1)C.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: 11.874 ± 0.002 Å
• b: 31.547 ± 0.006 Å
• c: 18.809 ± 0.004 Å
• α: 90°
• β: 105.16 ± 0.008°
• γ: 90°
• Cell volume: 6800 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No