Information card for entry 1569189

Structure parameters

• Formula: C9 H21 Br3 N4
• Calculated formula: C9 H21 Br3 N4
• Title of publication: Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts
• Authors of publication: Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3245 - 3257
• a: 9.9901 ± 0.0002 Å
• b: 9.9901 ± 0.0002 Å
• c: 15.6499 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.89 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No