Information card for entry 4082017

Structure parameters

• Formula: C21 H44 B N2 Si2 Y
• Calculated formula: C21 H44 B N2 Si2 Y
• SMILES: [Y]123456(N(C(=[N]([B]71=[CH]2[CH]3=[CH]4[CH]5=[CH]67)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: 10.4773 ± 0.0016 Å
• b: 18.341 ± 0.003 Å
• c: 28.397 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5456.9 ± 1.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No