Information card for entry 4327045

Structure parameters

• Formula: C24 H12 K N8 O4 S2
• Calculated formula: C24 H12 K N8 O4 S2
• SMILES: [K+].S1(=O)(=O)N=C2c3c(nccc3)c3ncccc3C2=N1.S1(=O)(=O)N=C2c3c(nccc3)c3ncccc3C2=N1
• Title of publication: Monovalent and Mixed-Valent Potassium Salts of [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide: A Radical Anion for Multidimensional Network Structures
• Authors of publication: Yoshiaki Shuku; Rie Suizu; Kunio Awaga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11859 - 11861
• a: 9.629 ± 0.003 Å
• b: 19.438 ± 0.006 Å
• c: 13.13 ± 0.004 Å
• α: 90°
• β: 111.244 ± 0.004°
• γ: 90°
• Cell volume: 2290.5 ± 1.2 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No