Information card for entry 1558507

Structure parameters

• Formula: C24 H26 Cl N7 O
• Calculated formula: C24 H26 Cl N7 O
• SMILES: [Cl-].N(/[NH+]=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1)=C\c1ccccc1.O.N#CC
• Title of publication: Multifunctional ionic porous frameworks for CO2 conversion and combating microbes
• Authors of publication: Hussain, MD. Waseem; Bhardwaj, Vipin; Giri, Arkaprabha; Chande, Ajit; Patra, Abhijit
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 30
• Pages of publication: 7910 - 7920
• a: 8.6917 ± 0.0002 Å
• b: 15.6895 ± 0.0005 Å
• c: 17.8706 ± 0.0006 Å
• α: 90°
• β: 101.494 ± 0.002°
• γ: 90°
• Cell volume: 2388.11 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1939
• 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