Information card for entry 4088664

Structure parameters

• Formula: C37 H48 B La N2 O Si
• Calculated formula: C37 H48 B La N2 O Si
• SMILES: [La]123456([N](c7ccccc7C5)(C)C)([O]5CCCC5)[c]5([Si](C)(C)C73[CH]4=CB(C=[CH]67)N(CC)CC)[c]31ccccc3c1cccc[c]251
• 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: 20.555 ± 0.005 Å
• b: 20.555 ± 0.005 Å
• c: 16.443 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6947 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No