Information card for entry 7062882

Structure parameters

• Formula: C36 H60 I2 N6 O2
• Calculated formula: C36 H60 I2 N6 O2
• 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: 11.8424 ± 0.0002 Å
• b: 14.7304 ± 0.0003 Å
• c: 12.146 ± 0.0002 Å
• α: 90°
• β: 113.863 ± 0.001°
• γ: 90°
• Cell volume: 1937.66 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No