Information card for entry 2016987

Structure parameters

• Chemical name: <i>catena</i>-poly[[silver(I)-μ~3~-3-[4-(2-thienyl)-2<i>H</i>- cyclopenta[<i>d</i>]pyridazin-1-yl]benzonitrile] perchlorate methanol solvate],
• Formula: C19 H15 Ag Cl N3 O5 S
• Calculated formula: C19 H15 Ag Cl N3 O5 S
• SMILES: [Ag][n]1c(c2cccs2)c2cccc2c([nH]1)c1cc(ccc1)C#[N][Ag][n]1c(c2cccs2)c2cccc2c([nH]1)c1cc(ccc1)C#N.Cl(=O)(=O)(=O)[O-].CO.Cl(=O)(=O)(=O)[O-].CO
• Title of publication: A two-dimensional network formed by self-associating silver(I) perchlorate with 3-[4-(2-thienyl)-2<i>H</i>-cyclopenta[<i>d</i>]pyridazin-1-yl]benzonitrile
• Authors of publication: Li, Xiao-Yan; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m45 - m47
• a: 7.2729 ± 0.0017 Å
• b: 20.34 ± 0.005 Å
• c: 13.608 ± 0.003 Å
• α: 90°
• β: 103.022 ± 0.003°
• γ: 90°
• Cell volume: 1961.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes