Information card for entry 7219426

Structure parameters

• Common name: dimer complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3
• Chemical name: dimer complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3
• Formula: C16 H26 Ag2 N8 O6 S2
• Calculated formula: C16 H26 Ag2 N8 O6 S2
• SMILES: [Ag]1([S](C)c2[n]([Ag]3)c(C)cc(n2)N(C)C)([S](c2nc(N(C)C)cc([n]32)C)C)(ON(=O)=[O]1)ON(=O)=O
• Title of publication: Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts
• Authors of publication: Podyachev, Sergey Nicolaevich; Masliy, Alexey Nicolaevich; Semenov, Vyacheslav Engelsovich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Voronina, Julia Konstantinovna; Ivanov, Vladimir Timofeevich; Kuznetsov, Andrey Mikhailovich; Gogolashvili, Edward Lavrentievich; Reznik, Vladimir Savich; Konovalov, Alexander Ivanovich
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.094 ± 0.003 Å
• b: 20.188 ± 0.006 Å
• c: 12.319 ± 0.004 Å
• α: 90°
• β: 99.246 ± 0.003°
• γ: 90°
• Cell volume: 2477.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No