Information card for entry 4088666

Structure parameters

• Formula: C33 H40 B Gd N2 Si
• Calculated formula: C33 H40 B Gd N2 Si
• SMILES: [Gd]123456789%10([N](c%11c(C%10)cccc%11)(C)C)[c]%10([Si](C)(C)C%115[CH]6=[CH]7B(N(CC)CC)[CH]8=[CH]9%11)[c]51[c]2(cccc5)[c]13[c]4%10cccc1
• 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: 13.387 ± 0.004 Å
• b: 20.458 ± 0.005 Å
• c: 22.328 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6115 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No