Information card for entry 7226389

Structure parameters

• Formula: C28 H16 Cl2 N2 O6 S
• Calculated formula: C28 H16 Cl2 N2 O6 S
• SMILES: C1(=O)c2c(ccc(c2C(=O)c2c(ccc(c12)N(=O)=O)Cl)N(=O)=O)Cl.c12c(cccc2C)c2c(s1)c(ccc2)C
• Title of publication: Inorganic-organic hybrid sorbent for aromatic desulfurization of hydro-carbons: Regenerative adsorption based on charge-transfer complex
• Authors of publication: Armaghan, Mahsa; Amini, Mostafa M.; Khavasi, Hamid Reza; Zhang, Wen-Hua; Weng, Ng Seik
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.6317 ± 0.0008 Å
• b: 14.511 ± 0.001 Å
• c: 16.1526 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2492 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P c n b
• Hall space group symbol: -P 2b 2ac
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No