Information card for entry 4321762

Structure parameters

• Formula: C7 H5 K O S
• Calculated formula: C7 H5 K O S
• SMILES: [K+].[O-]C(=S)c1ccccc1
• Title of publication: Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues
• Authors of publication: Osamu Niyomura; Shinzi Kato; Takahiro Kanda
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 507 - 518
• a: 31.02 ± 0.008 Å
• b: 4.12 ± 0.01 Å
• c: 11.907 ± 0.007 Å
• α: 90°
• β: 97.44 ± 0.04°
• γ: 90°
• Cell volume: 1509 ± 4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 2.86
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No