Information card for entry 4336740

Structure parameters

• Formula: C30 H22 Cl2 Li2 N6 O8
• Calculated formula: C30 H22 Cl2 Li2 N6 O8
• SMILES: [Li]123([n]4ccccc4c4cccc(c5cccc[n]25)[n]14)[O]=Cl(=O)(O[Li]12([n]4ccccc4c4cccc(c5cccc[n]25)[n]14)[O]=Cl(=O)(O3)=O)=O
• Title of publication: Coordination of Terpyridine to Li+ in Two Different Ionic Liquids
• Authors of publication: Klaus Pokorny; Matthias Schmeisser; Frank Hampel; Achim Zahl; Ralph Puchta; Rudi van Eldik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13167 - 13178
• a: 8.6325 ± 0.0007 Å
• b: 9.6777 ± 0.0011 Å
• c: 10.5904 ± 0.0009 Å
• α: 103.254 ± 0.008°
• β: 108.437 ± 0.008°
• γ: 108.812 ± 0.009°
• Cell volume: 738.47 ± 0.15 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No