Information card for entry 7033952

Structure parameters

• Formula: C23 H49 B N O Sc Si2
• Calculated formula: C23 H49 B N O Sc Si2
• SMILES: [Sc]12(C3B(C=C([CH]1=[C]23C)C)N(CC)CC)([O]1CCCC1)(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: 10.945 ± 0.002 Å
• b: 13.877 ± 0.003 Å
• c: 19.505 ± 0.004 Å
• α: 90°
• β: 91.922 ± 0.004°
• γ: 90°
• Cell volume: 2960.8 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.1034
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No