Information card for entry 4512387

Structure parameters

• Formula: C19 H22 Ag N O6 S2
• Calculated formula: C19 H22 Ag N O6 S2
• SMILES: [Ag]1[S]2CCOCC[S]1Cc1c(OCOc3c(C2)cccc3)cccc1.O=N(=O)[O-]
• Title of publication: Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers
• Authors of publication: Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6269
• a: 8.8259 ± 0.0014 Å
• b: 12.51 ± 0.002 Å
• c: 9.9956 ± 0.0016 Å
• α: 90°
• β: 111.405 ± 0.003°
• γ: 90°
• Cell volume: 1027.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No