Information card for entry 4335851

Structure parameters

• Formula: C13 H8 N4 O4 S
• Calculated formula: C13 H6 N4 O4 S
• 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: 9.5341 ± 0.0015 Å
• b: 9.5341 ± 0.0015 Å
• c: 14.075 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1279.4 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No