Information card for entry 4077665

Structure parameters

• Formula: C36 H64 B20 Li O4 Sm
• Calculated formula: C36 H60 B20 Li O4 Sm
• SMILES: [Sm]123456789%10([C]%11%12%13%14[C]%15%16%17(C(C)(C)[c]%186[c]69cccc[c@]%106[cH]8[cH]7%18)[BH]67%11[BH]89%12[BH]%10%11%13[BH]%12%14%15[BH]%13%14%16[BH]%15%176[BH]678[BH]79%10[BH]%11%12%13[BH]%14%1567)[C]6789[C]%10%11%12(C(C)(C)[c]%131[cH]2[cH]3[c]15cccc[c]4%131)[BH]126[BH]347[BH]568[BH]79%10[BH]89%11[BH]%10%121[BH]123[BH]245[BH]678[BH]9%1012.[Li]12([O](CC[O]1C)C)[O](C)CC[O]2C
• 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: 11.624 ± 0.001 Å
• b: 12.928 ± 0.0008 Å
• c: 16.753 ± 0.0016 Å
• α: 80.009 ± 0.006°
• β: 77 ± 0.003°
• γ: 84.926 ± 0.006°
• Cell volume: 2412.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No