Information card for entry 2312629

Structure parameters

• Common name: thiophosgene
• Chemical name: carbonothioyl dichloride
• Formula: C Cl2 S
• Calculated formula: C Cl2.00001 S0.99999
• Title of publication: A comprehensive characterization of thiophosgene in the solid state.
• Authors of publication: Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 5.94993 ± 0.00002 Å
• b: 5.94993 Å
• c: 6.248669 ± 0.000027 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 191.576 ± 0.001 ų
• Cell temperature: 40 K
• Ambient diffraction temperature: 40 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• RFsqd: 0.06339
• Goodness-of-fit parameter for all reflections: 0.99
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: white-beam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No