Information card for entry 2000728

Structure parameters

• Chemical name: Di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] Dicyanamide
• Formula: C22 H16 N3 S16
• Calculated formula: C22 H16 N3 S16
• Title of publication: Structure of (BEDT-TTF)~2~N(CN)~2~
• Authors of publication: Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1560 - 1561
• a: 14.744 ± 0.001 Å
• b: 6.676 ± 0.002 Å
• c: 32.151 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3164.7 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.125
• Goodness-of-fit parameter for significantly intense reflections: 5.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No