Information card for entry 4064317

Structure parameters

• Formula: C56 H98 B4 N2 Na2 O2 P2 Si4 Yb2
• Calculated formula: C56 H96 B4 N2 Na2 O2 P2 Si4 Yb2
• SMILES: [Na]1[N]([Si](C)(C)C)([Si](C)(C)C)[Na][N]1([Si](C)(C)C)[Si](C)(C)C.[Yb]12([CH]3=CB(C=CC13)C[P]([B]1=CC=CC=C1)(C)C)[O](=C(C)C)[Yb]1([CH]3=CB(C=CC13)C[P]([B]1=CC=CC=C1)(C)C)[O]2=C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Versatile Reactivities ofansa-Heteroborabenzene Divalent Ytterbium Amide toward Alkali-Metal Salts and the Generation of Heterometallic Ytterbium−Alkali-Metal Boratabenzene Complexes
• Authors of publication: Cui, Peng; Chen, Yaofeng; Li, Guangyu; Xia, Wei
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2012
• a: 9.744 ± 0.002 Å
• b: 12.58 ± 0.003 Å
• c: 15.503 ± 0.004 Å
• α: 87.946 ± 0.004°
• β: 73.125 ± 0.004°
• γ: 80.974 ± 0.005°
• Cell volume: 1795.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No