Information card for entry 2239477

Structure parameters

• Common name: 2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate
• Chemical name: 2,9-Bis(4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate
• Formula: C20 H20 N6 O4 S4
• Calculated formula: C20 H20 N6 O4 S4
• Title of publication: 2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate
• Authors of publication: Rahman, Md. A; Karim, Mohammad; Arifuzzaman, Md.; Siddiquee, Tasneem; Daniels, Lee M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o321 - o322
• a: 14.113 ± 0.011 Å
• b: 11.161 ± 0.008 Å
• c: 16.708 ± 0.012 Å
• α: 90°
• β: 112.837 ± 0.014°
• γ: 90°
• Cell volume: 2425 ± 3 ų
• Cell temperature: 277 ± 2 K
• Ambient diffraction temperature: 277 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes