Information card for entry 7054291

Structure parameters

• Formula: C12 H8 Ag Cl N6 O4 S2
• Calculated formula: C12 H8 Ag Cl N6 O4 S2
• Title of publication: Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand
• Authors of publication: Wang, Han; Yang, Jin; Mak, Thomas C. W.
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 10
• Pages of publication: 4690
• a: 9.443 ± 0.005 Å
• b: 12.262 ± 0.007 Å
• c: 14.799 ± 0.008 Å
• α: 90°
• β: 106.506 ± 0.014°
• γ: 90°
• Cell volume: 1643 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No