Information card for entry 2243580

Structure parameters

• Common name: Dipotassium rubidium citrate monohydrate
• Chemical name: Dipotassium rubidium citrate monohydrate
• Formula: C6 H7 K2.108 O8 Rb0.892
• Calculated formula: C6 H7 K2.107 O8 Rb0.893
• Title of publication: Structures of dipotassium rubidium citrate monohydrate, K~2~RbC~6~H~5~O~7~(H~2~O), and potassium dirubidium citrate monohydrate, KRb~2~C~6~H~5~O~7~(H~2~O), from laboratory X-ray 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: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1566 - 1571
• a: 7.2407 ± 0.001 Å
• b: 11.8145 ± 0.0003 Å
• c: 13.062 ± 0.002 Å
• α: 90°
• β: 98.334 ± 0.007°
• γ: 90°
• Cell volume: 1105.6 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Weighted residual factors for significantly intense reflections: 0.03327
• Goodness-of-fit parameter for all reflections: 1.884
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.70932 Å
• Diffraction radiation type: Kα~1,2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No