Information card for entry 4335852

Structure parameters

• Formula: C26 H14 N8 O8 S2
• Calculated formula: C26 H12 N8 O8 S2
• 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: 13.83 ± 0.005 Å
• b: 11.906 ± 0.004 Å
• c: 9.224 ± 0.003 Å
• α: 90°
• β: 123.407 ± 0.003°
• γ: 90°
• Cell volume: 1267.9 ± 0.8 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No