Information card for entry 7062881

Structure parameters

• Formula: C20 H38 I2 N6
• Calculated formula: C20 H38 I2 N6
• Title of publication: Guanidinium iodide salts as single component catalysts for CO2 to epoxide fixation
• Authors of publication: Mesías-Salazar, Ángela; Rojas, René S.; Carrillo-Hermosilla, Fernando; Martínez, Javier; Antiñolo, Antonio; Trofymchuk, Oleksandra S.; Nachtigall, Fabiane M.; Santos, Leonardo S.; Daniliuc, Constantin G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 105 - 111
• a: 28.4678 ± 0.0008 Å
• b: 28.4678 ± 0.0008 Å
• c: 6.3147 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5117.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No