Information card for entry 4071581

Structure parameters

• Formula: C42 H46 B2 N2 O2 Yb
• Calculated formula: C42 H46 B2 N2 O2 Yb
• SMILES: [B]12(=[CH]3[CH]4=[CH]5[CH]6=[CH]1[Yb]1789%1023456([O]2CCCC2)([B]2(=[CH]1[CH]7=[CH]8[CH]9=[CH]%102)N(c1ccccc1)c1ccccc1)[O]1CCCC1)N(c1ccccc1)c1ccccc1
• Title of publication: Divalent Ytterbium Boratabenzene Complex (C5H5BNPh2)2Yb(THF)2: Synthesis, Structure, and Solvent-Mediated Redox Transformation
• Authors of publication: Cui, Peng; Chen, Yaofeng; Wang, Guoping; Li, Guangyu; Xia, Wei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 4013
• a: 12.093 ± 0.0012 Å
• b: 13.7092 ± 0.0012 Å
• c: 23.173 ± 0.002 Å
• α: 90°
• β: 104.875 ± 0.002°
• γ: 90°
• Cell volume: 3713 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No