Information card for entry 2221695

Structure parameters

• Common name: 4,5-Methylenedithio[1,2,5]thiadiazolotetrathiafulvalene
• Chemical name: 5-(1,3-Dithiolo[4,5-<i>d</i>][1,3]dithiol-2-ylidene)-1,3- dithiolo[4,5-<i>c</i>][1,2,5]thiadiazole
• Formula: C7 H2 N2 S7
• Calculated formula: C7 H2 N2 S7
• Title of publication: 5-(1,3-Dithiolo[4,5-<i>d</i>][1,3]dithiol-2-ylidene)-1,3-dithiolo[4,5-<i>c</i>][1,2,5]thiadiazole: an unsymmetrical tetrathiafulvalene with fused 1,2,5-thiadiazole and 1,3-dithiole rings
• Authors of publication: Tomura, Masaaki; Yamashita, Yoshiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1082
• a: 27.42 ± 0.03 Å
• b: 4.051 ± 0.003 Å
• c: 11.047 ± 0.01 Å
• α: 90°
• β: 113.02 ± 0.015°
• γ: 90°
• Cell volume: 1129.4 ± 1.8 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No