Information card for entry 7706557

Structure parameters

• Formula: C35 H42 Cu3 N9 O6 S
• Calculated formula: C35 H42 Cu3 N9 O6 S
• 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: 12.8398 ± 0.0006 Å
• b: 21.8537 ± 0.001 Å
• c: 14.0702 ± 0.0006 Å
• α: 90°
• β: 98.497 ± 0.001°
• γ: 90°
• Cell volume: 3904.7 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No