Information card for entry 7204385

Structure parameters

• Formula: C5.5 H Cl4 N5 S4
• Calculated formula: C5.5 H Cl4 N5 S4
• Title of publication: Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions
• Authors of publication: Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1535
• a: 21.14 ± 0.005 Å
• b: 6.7242 ± 0.0015 Å
• c: 10.004 ± 0.003 Å
• α: 90°
• β: 103.22 ± 0.02°
• γ: 90°
• Cell volume: 1384.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No