Information card for entry 7127765

Structure parameters

• Formula: C52 H50 Cl2 Li2 N6 Si2
• Calculated formula: C52 H50 Cl2 Li2 N6 Si2
• SMILES: [Cl]1[Li]2([Cl][Li]31[n]1c(cccc1)C[Si](c1ccccc1)(Cc1[n]3cccc1)c1ccccc1)[n]1c(C[Si](c3ccccc3)(Cc3[n]2cccc3)c2ccccc2)cccc1.C(#N)C.CC#N
• Title of publication: Complexation behaviour of LiCl and LiPF₆- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.
• Authors of publication: Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13335 - 13338
• a: 8.9867 ± 0.0002 Å
• b: 11.6858 ± 0.0003 Å
• c: 12.4491 ± 0.0003 Å
• α: 77.799 ± 0.002°
• β: 74.843 ± 0.002°
• γ: 78.754 ± 0.002°
• Cell volume: 1219.77 ± 0.05 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No