Information card for entry 4077670

Structure parameters

• Formula: C36 H64 B20 Li Nd O4
• Calculated formula: C36 H64 B20 Li Nd O4
• SMILES: [Nd]123456789%10([C]%11%12%13%14[C]%15%16%17(C(C)(C)[c]%181[c]14cccc[c]51[cH]3[cH]2%18)[BH]12%11[BH]34%12[BH]5%11%13[BH]%12%14%15[BH]%13%145[BH]5%16%12[BH]%12%171[BH]123[BH]4%11%13[BH]%145%121)[C]1234[C]5%11%12(C(C)(C)[c]%136[cH]7[cH]8[c]6%10[c]9%13cccc6)[BH]671[BH]182[BH]293[BH]345[BH]452[BH]2%113[BH]3%126[BH]671[BH]894[BH]5236.[Li]12([O](C)CC[O]2C)[O](C)CC[O]1C
• 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: 11.645 ± 0.0006 Å
• b: 12.959 ± 0.0006 Å
• c: 16.732 ± 0.001 Å
• α: 79.917 ± 0.004°
• β: 77.13 ± 0.002°
• γ: 84.865 ± 0.004°
• Cell volume: 2420.2 ± 0.2 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: 0.0596
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No