Information card for entry 4335854

Structure parameters

• Formula: C12 H10 I N5 O2 S
• Calculated formula: C12 H10 I N5 O2 S
• SMILES: [I-].S1(=O)(=O)[N]c2c3c(nccc3)c3ncccc3c2[N]1.[NH4+]
• Title of publication: Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide
• Authors of publication: Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9921 - 9930
• a: 29.796 ± 0.007 Å
• b: 6.3668 ± 0.0013 Å
• c: 16.569 ± 0.004 Å
• α: 90°
• β: 109.054 ± 0.003°
• γ: 90°
• Cell volume: 2971 ± 1.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No