Information card for entry 7706559

Structure parameters

• Formula: C35 H42 Ag3 N9 O6 S
• Calculated formula: C35 H42 Ag3 N9 O6 S
• SMILES: [Ag]1n2c(CC)c(c(CC)[n]2[Ag]n2c(CC)c(c(CC)[n]2[Ag]n2c(CC)c(c(CC)[n]12)N(=O)=O)N(=O)=O)N(=O)=O.c12c(cccc1c1cccc(c1s2)C)C
• Title of publication: Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.
• Authors of publication: Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2915 - 2927
• a: 13.2738 ± 0.0006 Å
• b: 22.3282 ± 0.0007 Å
• c: 13.8197 ± 0.0006 Å
• α: 90°
• β: 100.078 ± 0.004°
• γ: 90°
• Cell volume: 4032.7 ± 0.3 ų
• Cell temperature: 298.15 ± 0.1 K
• Ambient diffraction temperature: 298.15 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No