Information card for entry 4077278

Structure parameters

• Formula: C54 H112 B20 Li4 O7 Si2
• Calculated formula: C54 H108 B20 Li4 O7 Si2
• SMILES: [Si]1([C]2345[C]678([Li]9%10%11%12([O]%13CCCC%13)[c]%13%141[c]1%12([Li]%12%15%16%17%18%19%13([c]9%14([c]%10%12([c]%111%15C)C)C)[c]19%10[Si]([C]%11%12%13%14[C]%15%20%21([Li]%22%23%241([O]1CCCC1)[c]%169([c]%17%22([c]%18%23([c]%19%10%24C)C)C)C)[BH]19%11[BH]%10%11%12[BH]%12%16%13[BH]%13%14%15[BH]%14%15%16[BH]%16%11%12[BH]%119%10[BH]9%201[BH]%21%13%14[BH]%15%16%119)(C)C)C)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)
• Authors of publication: Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 2359
• a: 38.213 ± 0.008 Å
• b: 10.46 ± 0.002 Å
• c: 18.533 ± 0.004 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 7408 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1287
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2779
• Weighted residual factors for all reflections included in the refinement: 0.3002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No