Information card for entry 4333937

Structure parameters

• Formula: C8 H7 F N3 S4
• Calculated formula: C8 H7 F N3 S4
• SMILES: C12=C(C(F)=C3SSN=C3N2CCC)SS[N]1
• Title of publication: Bisdithiazolyl Radical Spin Ladders
• Authors of publication: Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2188 - 2198
• a: 15.956 ± 0.0007 Å
• b: 15.956 ± 0.0007 Å
• c: 4.2769 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1088.87 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No