Information card for entry 4077708

Structure parameters

• Formula: C18 H37 B10 Er O2
• Calculated formula: C18 H37 B10 Er O2
• SMILES: [Er]123456789([O]%10CCCC%10)([O]%10CCCC%10)[C]%10%11([BH]%12%131[CH]1%14[BH]%15%162[BH]2%173[BH]4%10[BH]34%17[BH]%10%11%12[BH]%11%131[BH]1%14%15[BH]%1623[BH]4%10%111)C(C)(C)[c]15[cH]6[cH]7[cH]8[cH]91
• Title of publication: Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)
• Authors of publication: Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1391
• a: 9.853 ± 0.002 Å
• b: 14.272 ± 0.003 Å
• c: 17.056 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2398.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No