Information card for entry 2105057

Structure parameters

• Formula: C6 H7 Br2 Cs O7
• Calculated formula: C6 H7 Br2 Cs O7
• Title of publication: Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid
• Authors of publication: Molčanov, Krešimir; Kojić-Prodić, Biserka
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: 57 - 65
• a: 18.9442 ± 0.0001 Å
• b: 18.9442 ± 0.0001 Å
• c: 6.673 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2394.82 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes