Information card for entry 2243584

Structure parameters

• Common name: potassium dirubidium citrate monohydrate
• Chemical name: Potassium dirubidium citrate monohydrate
• Formula: C6 H7 K1.37 O8 Rb1.63
• Calculated formula: C6 H7 K1.371 O8 Rb1.629
• 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: 7.3507 ± 0.0005 Å
• b: 11.8468 ± 0.0004 Å
• c: 13.2275 ± 0.0012 Å
• α: 90°
• β: 98.109 ± 0.004°
• γ: 90°
• Cell volume: 1140.36 ± 0.14 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: 0.03232
• Goodness-of-fit parameter for all reflections: 1.851
• 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