Information card for entry 4082023

Structure parameters

• Formula: C29 H56 B N2 Si2 Y
• Calculated formula: C29 H56 B N2 Si2 Y
• SMILES: [Y]123456(N(C(=[N]([B]71=[CH]6[C]5(=[CH]4[C]3(=[CH]27)C)C)C1CCCCC1)C)C1CCCCC1)(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: 10.817 ± 0.002 Å
• b: 11.05 ± 0.002 Å
• c: 16.18 ± 0.003 Å
• α: 78.263 ± 0.004°
• β: 75.43 ± 0.004°
• γ: 64.158 ± 0.003°
• Cell volume: 1674.8 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No