Information card for entry 7060303

Structure parameters

• Formula: C3 H3 Cs N2 O4
• Calculated formula: C3 H3 Cs N2 O4
• Title of publication: Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion) and the CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)
• Authors of publication: Isaia, Francesco; Garau, Alessandra; Castellano, Carlo; Demartin, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Lippolis, Vito; Pivetta, Tiziana
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 3263 - 3270
• a: 7.8313 ± 0.0004 Å
• b: 8.4529 ± 0.0004 Å
• c: 10.3855 ± 0.0005 Å
• α: 71.081 ± 0.01°
• β: 83.485 ± 0.01°
• γ: 81.22 ± 0.01°
• Cell volume: 641.22 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No