Information card for entry 4077707

Structure parameters

• Formula: C18 H37 B10 O2 Sm
• Calculated formula: C18 H36 B10 O2 Sm
• SMILES: [Sm]123456789([C]%10%11([BH]%12%136[CH]6%14[BH]%15%167[BH]7%178[BH]89%10[B]9%10%11%12[BH]%11%136[BH]6%14%15[BH]%12%167[BH]%1789[BH]%10%116%12)C(C)(C)[c]61[cH]2[cH]3[cH]4[cH]56)([O]1CCCC1)[O]1CCCC1
• 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: 9.8703 ± 0.0008 Å
• b: 14.331 ± 0.0018 Å
• c: 17.309 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2448.4 ± 0.5 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: 0.0709
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No