Information card for entry 4077283

Structure parameters

• Formula: C37 H88 B10 I2 Li2 O12 Si Yb
• Calculated formula: C37 H88 B10 I2 Li2 O12 Si Yb
• SMILES: [Yb]12345(I)(I)[C]6789[C]%10%11%12([Si](C)(C)[c]%131[c]2([c]3([c]4([c]5%13C)C)C)C)[BH]126[BH]347[BH]568[BH]79%10[BH]896[BH]645[BH]423[BH]2%111[BH]%1278[BH]9642.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)
• Authors of publication: Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 2359
• a: 14.026 ± 0.0004 Å
• b: 15.837 ± 0.0006 Å
• c: 27.756 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6165.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No