Information card for entry 7715552

Structure parameters

• Formula: C16 H18 Li2 O8
• Calculated formula: C16 H18 Li2 O8
• SMILES: [Li]12([O]([Li]3([O]2c2ccccc2C(=[O]3)OC)[OH2])c2ccccc2C(=[O]1)OC)[OH2]
• Title of publication: Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.
• Authors of publication: Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7450 - 7469
• a: 6.4307 ± 0.0016 Å
• b: 10.351 ± 0.002 Å
• c: 24.58 ± 0.006 Å
• α: 90°
• β: 90.61 ± 0.03°
• γ: 90°
• Cell volume: 1636.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No