Information card for entry 7033953

Structure parameters

• Formula: C23 H49 B Lu N O Si2
• Calculated formula: C23 H49 B Lu N O Si2
• SMILES: [Lu]1234([O]5CCCC5)(C5B([CH]1=[C]4([CH]3=[C]25C)C)N(CC)CC)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Mono(boratabenzene) rare-earth metal dialkyl complexes: synthesis, structure and catalytic behaviors for styrene polymerization.
• Authors of publication: Wang, Xiufang; Leng, Xuebing; Chen, Yaofeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5771 - 5776
• a: 10.9985 ± 0.0009 Å
• b: 14.0655 ± 0.0011 Å
• c: 19.6993 ± 0.0015 Å
• α: 90°
• β: 91.8 ± 0.001°
• γ: 90°
• Cell volume: 3046 ± 0.4 ų
• Cell temperature: 133.5 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No