Information card for entry 7204384

Structure parameters

• Formula: C5 Cl N5 S3
• Calculated formula: C5 Cl N5 S3
• 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: 10.947 ± 0.003 Å
• b: 6.065 ± 0.002 Å
• c: 14.001 ± 0.004 Å
• α: 90°
• β: 90.48 ± 0.02°
• γ: 90°
• Cell volume: 929.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.0755
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No