Information card for entry 2242861

Structure parameters

• Common name: dilithium potassium citrate
• Chemical name: dilithium potassium citrate
• Formula: C6 H5 K Li2 O7
• Calculated formula: C6 H5 K Li2 O7
• SMILES: C(=O)(CC(CC(=O)[O-])(C(=O)[O-])O)[O-].[K+].[Li+].[Li+]
• Title of publication: Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations
• Authors of publication: Cigler, Andrew J.; Kaduk, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 3
• Pages of publication: 410 - 413
• a: 6.4842 ± 0.0003 Å
• b: 6.6833 ± 0.0003 Å
• c: 9.8171 ± 0.0004 Å
• α: 87.637 ± 0.004°
• β: 80.606 ± 0.004°
• γ: 83.109 ± 0.004°
• Cell volume: 416.59 ± 0.03 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.65
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.709237 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No