Information card for entry 2243176

Structure parameters

• Chemical name: Potassium silver 4-carboxybenzenesulfonate salt dihydrate
• Formula: C7 H9 Ag0.2 K0.8 O7 S
• Calculated formula: C7 H9 Ag0.2 K0.8 O7 S
• Title of publication: Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts
• Authors of publication: Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1801 - 1807
• a: 12.8018 ± 0.0007 Å
• b: 9.917 ± 0.0006 Å
• c: 8.4013 ± 0.0005 Å
• α: 90°
• β: 94.747 ± 0.001°
• γ: 90°
• Cell volume: 1062.93 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes