Information card for entry 1508446

Structure parameters

• Formula: C25 H18 N3 O S16
• Calculated formula: C25 H16 N3 O S16
• Title of publication: Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
• Authors of publication: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 306 - 326
• a: 15.5152 ± 0.0013 Å
• b: 13.2644 ± 0.001 Å
• c: 33.673 ± 0.002 Å
• α: 90°
• β: 97.443 ± 0.006°
• γ: 90°
• Cell volume: 6871.5 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1974
• Residual factor for significantly intense reflections: 0.1562
• Weighted residual factors for significantly intense reflections: 0.4577
• Weighted residual factors for all reflections included in the refinement: 0.4738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No