Information card for entry 4077666

Structure parameters

• Formula: C44 H52 B20 Li O4 Sm
• Calculated formula: C44 H52 B20 Li O4 Sm
• SMILES: [Sm]123456789%10([C]%11%12%13%14[C]%15%16%17(C(C)(C)[c]%181[cH]2[cH]3[c]15cccc[c]4%181)[BH]12%11[BH]34%12[BH]5%11%13[BH]%12%14%15[BH]%13%14%11[BH]%1145[BH]423[BH]2%161[BH]%17%12%13[BH]%14%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]182[BH]293[BH]345[BH]459[BH]982[BH]271[BH]1%116[BH]%1234[BH]5921.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 11.994 ± 0.003 Å
• b: 13.266 ± 0.004 Å
• c: 17.716 ± 0.005 Å
• α: 76.83 ± 0.02°
• β: 76.13 ± 0.018°
• γ: 85.856 ± 0.016°
• Cell volume: 2664.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No