Information card for entry 7011031

Structure parameters

• Formula: C12 H18 Ag N5 O3 S
• Calculated formula: C12 H18 Ag N5 O3 S
• Title of publication: Self-assembly of new three-dimensional molecular architectures constructed from silver(I)‒hexamethylenetetramine layers with supramolecular interactions
• Authors of publication: Shao-Liang Zheng; Ming-Liang Tong; Xiao-Ming Chen; Seik Weng Ng
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 360 - 364
• a: 6.562 ± 0.005 Å
• b: 13.342 ± 0.008 Å
• c: 8.555 ± 0.003 Å
• α: 90°
• β: 90 ± 0.05°
• γ: 90°
• Cell volume: 749 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No