Information card for entry 4082020

Structure parameters

• Formula: C23 H48 B Lu N2 Si2
• Calculated formula: C23 H48 B Lu N2 Si2
• SMILES: [Lu]123456([N](=C(N([B]71=[CH]2[C]3(=[CH]4[C]5(=[CH]67)C)C)C(C)C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium
• Authors of publication: Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6166
• a: 9.712 ± 0.002 Å
• b: 15.148 ± 0.003 Å
• c: 19.536 ± 0.004 Å
• α: 95.239 ± 0.003°
• β: 90.298 ± 0.003°
• γ: 92.885 ± 0.004°
• Cell volume: 2858.3 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No