Information card for entry 2004256

Structure parameters

• Chemical name: 1,5-Dichlorocyclotetra(azathiene)
• Formula: Cl2 N4 S4
• Calculated formula: Cl2 N4 S4
• SMILES: N1=S(Cl)N=S=NS(=NS1)Cl
• Title of publication: Redetermination of 1,5-Dichlorocyclotetra(azathiene) at 120 K
• Authors of publication: Žák, Z.; Ružička, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2478 - 2479
• a: 9.344 ± 0.002 Å
• b: 6.509 ± 0.002 Å
• c: 12.764 ± 0.003 Å
• α: 90°
• β: 108.53 ± 0.02°
• γ: 90°
• Cell volume: 736.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.0696
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No