Information card for entry 4063578

Structure parameters

• Formula: C44.5 H40 B P2 Rh
• Calculated formula: C44.5 H40 B P2 Rh
• SMILES: [Rh]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[BH]6=[CH]5[CH]4=[CH]3[CH]2=[CH]16.c1(ccccc1)C
• 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: 10.7375 ± 0.0008 Å
• b: 18.2282 ± 0.0014 Å
• c: 19.4109 ± 0.0015 Å
• α: 85.753 ± 0.001°
• β: 75.266 ± 0.001°
• γ: 88.749 ± 0.001°
• Cell volume: 3664.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No