Information card for entry 4308795

Structure parameters

• Formula: C2 N4 S4
• Calculated formula: C2 N4 S4
• SMILES: S1N=C([S]=N1)C1=NS[S]=N1
• Title of publication: Preparation and Solid-State Characterization of the Novel Mixed Biradical.NSNSC-CNSSN.
• Authors of publication: T. Stanley Cameron; Martin T. Lemaire; Jack Passmore; Jeremy M. Rawson; Konstantin V. Shuvaev; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2576 - 2578
• a: 6.717 ± 0.004 Å
• b: 11.701 ± 0.002 Å
• c: 8.269 ± 0.003 Å
• α: 90°
• β: 106.69 ± 0.03°
• γ: 90°
• Cell volume: 622.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2563
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No