Information card for entry 1546938

Structure parameters

• Chemical name: Potassium pyrroledithiocarbamate
• Formula: C5 H4 K N S2
• Calculated formula: C5 H4 K N S2
• Title of publication: Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach.
• Authors of publication: DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.41 ± 0.02 Å
• b: 14.04 ± 0.02 Å
• c: 8.042 ± 0.013 Å
• α: 90°
• β: 100.64 ± 0.03°
• γ: 90°
• Cell volume: 1488 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0983
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No