Information card for entry 4088657

Structure parameters

• Formula: C74.5 H84 B2 N2 Si2 Yb2
• Calculated formula: C74.5 H84 B2 N2 Si2 Yb2
• SMILES: [Yb]123456789%10%11([CH]%12=[CH]1[CH]2=[CH]3[CH]4=[CH]5[CH]6=[CH]7%12)[CH]1=[CH]8C9([CH]%10=[CH]%11B1N(CC)CC)[Si](C)(C)C1(c2ccccc2c2ccccc12)C1([Si](C)(C)C23[CH]4[Yb]56789%10%11%12%132([CH]3=[CH]%13B([CH]=45)N(CC)CC)[CH]2=[CH]6[CH]7=[CH]8[CH]9=[CH]%10[CH]%11=[CH]%122)c2ccccc2c2ccccc12.Cc1ccccc1.Cc1ccccc1
• Title of publication: Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes
• Authors of publication: Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1995
• a: 21.1436 ± 0.0015 Å
• b: 36.891 ± 0.003 Å
• c: 20.4285 ± 0.0014 Å
• α: 90°
• β: 114.148 ± 0.001°
• γ: 90°
• Cell volume: 14540 ± 1.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No