Information card for entry 7701809

Structure parameters

• Chemical name: Catena-[2,4-di(4-chloropyrazol-1-yl)-6H-1,3,5-triazine]-(acetonitrile)silver(I) perchlorate
• Formula: C11 H8 Ag Cl3 N8 O4
• Calculated formula: C11 H8 Ag Cl3 N8 O4
• Title of publication: Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands
• Authors of publication: Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 13.5601 ± 0.0002 Å
• b: 8.2545 ± 0.0001 Å
• c: 15.4017 ± 0.0003 Å
• α: 90°
• β: 95.121 ± 0.001°
• γ: 90°
• Cell volume: 1717.06 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No