Information card for entry 4082021

Structure parameters

• Formula: C29 H56 B Lu N2 Si2
• Calculated formula: C29 H56 B Lu N2 Si2
• SMILES: [Lu]123456(N(C(=[N]([B]71=[CH]2[C]3(=[CH]4[C]5(=[CH]67)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: 12.7151 ± 0.001 Å
• b: 13.9975 ± 0.0011 Å
• c: 18.9216 ± 0.0015 Å
• α: 90°
• β: 95.76 ± 0.001°
• γ: 90°
• Cell volume: 3350.7 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No