Information card for entry 7705997

Structure parameters

• Formula: C50 H58 Li2 Si2
• Calculated formula: C50 H58 Li2 Si2
• SMILES: [Si](c1cc([c]2(c(c1)c1c(cccc1C)C)[Li][c]1(c(cc([Si](C)(C)C)cc1c1c(cccc1C)C)c1c(cccc1C)C)[Li]2)c1c(cccc1C)C)(C)(C)C
• Title of publication: Structural and electronic studies of substituted m-terphenyl lithium complexes.
• Authors of publication: Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 722 - 728
• a: 11.7845 ± 0.0005 Å
• b: 13.7778 ± 0.0006 Å
• c: 16.2675 ± 0.0008 Å
• α: 69.756 ± 0.004°
• β: 85.404 ± 0.004°
• γ: 64.756 ± 0.004°
• Cell volume: 2234.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No