Information card for entry 7060304

Structure parameters

• Formula: C12 H15 Cs3 N12 O15
• Calculated formula: C12 H12 Cs3 N12 O15
• 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: 10.5063 ± 0.0012 Å
• b: 10.5363 ± 0.0012 Å
• c: 13.6572 ± 0.0016 Å
• α: 98.125 ± 0.002°
• β: 103.986 ± 0.002°
• γ: 111.539 ± 0.002°
• Cell volume: 1319.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1147
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No