Information card for entry 4063574

Structure parameters

• Formula: C20 H24 B4 Cl2 Y2
• Calculated formula: C20 H24 B4 Cl2 Y2
• SMILES: [Y]123456789%10%11([BH]%12=[CH]7[CH]8=[CH]9[CH]%10=[CH]1%12)([BH]1=[CH]6[CH]5=[CH]4[CH]3=[CH]21)[Cl][Y]123456789%10([BH]%12=[CH]5[CH]4=[CH]3[CH]2=[CH]1%12)([BH]1=[CH]6[CH]7=[CH]8[CH]9=[CH]%101)[Cl]%11
• Title of publication: Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand
• Authors of publication: Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4330
• a: 11.8003 ± 0.0013 Å
• b: 8.5072 ± 0.0009 Å
• c: 12.3557 ± 0.0013 Å
• α: 90°
• β: 111.903 ± 0.002°
• γ: 90°
• Cell volume: 1150.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No