Information card for entry 7715550

Structure parameters

• Formula: C16 H15 Li O6
• Calculated formula: C16 H15 Li O6
• SMILES: [Li]12(Oc3ccccc3C(=[O]1)OC)[OH]c1ccccc1C(=[O]2)OC
• 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: 4.9781 ± 0.001 Å
• b: 11.479 ± 0.002 Å
• c: 26.144 ± 0.005 Å
• α: 90°
• β: 94.95 ± 0.02°
• γ: 90°
• Cell volume: 1488.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No