Information card for entry 4517888

Structure parameters

• Formula: C13 H30 N12 O8
• Calculated formula: C13 H30 N12 O8
• Title of publication: Direct CO₂ Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand.
• Authors of publication: Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 32
• Pages of publication: 20428 - 20437
• a: 8.1746 ± 0.0005 Å
• b: 11.1625 ± 0.0007 Å
• c: 13.359 ± 0.0009 Å
• α: 106.939 ± 0.003°
• β: 98.293 ± 0.003°
• γ: 96.435 ± 0.003°
• Cell volume: 1138.52 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No