Information card for entry 4307032

Structure parameters

• Formula: C16 H22 N4 O2 Pt S4
• Calculated formula: C16 H22 N4 O2 Pt S4
• SMILES: CN(C=O)C.[Pt]12([S]=c3c(ccc[nH]3)S1)Sc1c([nH]ccc1)=[S]2.CN(C=O)C
• Title of publication: Syntheses and Unusual Segregated-Alternated Hybrid Stacking Structure of Hydrogen-Bonded Charge-Transfer Complexes Composed of Bis[2,3-pyridinedithiolate]metal Complexes
• Authors of publication: Sota Shibahara; Hiroshi Kitagawa; Yoshiki Ozawa; Koshiro Toriumi; Takashi Kubo; Kazuhiro Nakasuji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1162 - 1170
• a: 7.636 ± 0.007 Å
• b: 14.37 ± 0.02 Å
• c: 9.695 ± 0.009 Å
• α: 90°
• β: 97.96 ± 0.09°
• γ: 90°
• Cell volume: 1054 ± 2 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No