Information card for entry 7219424

Structure parameters

• Common name: 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgPic (silver picrate)
• Chemical name: 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgPic (silver picrate)
• Formula: C22 H28 Ag N9 O7 S2
• Calculated formula: C22 H28 Ag N9 O7 S2
• SMILES: c1([n](c(cc(n1)N(C)C)C)[Ag][n]1c(nc(cc1C)N(C)C)SC)SC.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=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: 10.0321 ± 0.0012 Å
• b: 10.1496 ± 0.0012 Å
• c: 15.7844 ± 0.0019 Å
• α: 100.504 ± 0.001°
• β: 94.365 ± 0.001°
• γ: 117.014 ± 0.001°
• Cell volume: 1384.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No