Information card for entry 4088663

Structure parameters

• Formula: C35 H44 B Gd I N O Si
• Calculated formula: C35 H44 B Gd I N O Si
• SMILES: [Gd]123456789(I)([O]%10CCCC%10)[c]%10([Si](C)(C)C%117[CH]6=[CH]5B(N(CC)CC)[CH]9=[CH]8%11)[c]51[c]2(cccc5)[c]13cccc[c]4%101.c1ccccc1C
• 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: 18.5501 ± 0.0017 Å
• b: 14.4106 ± 0.0013 Å
• c: 13.5139 ± 0.0012 Å
• α: 90°
• β: 109.277 ± 0.001°
• γ: 90°
• Cell volume: 3410 ± 0.5 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132.65 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No