Information card for entry 4321756

Structure parameters

• Formula: C8 H7 K S2
• Calculated formula: C8 H7 K S2
• SMILES: [K+].[S-]C(=S)c1ccc(cc1)C
• Title of publication: Heavy Alkali Metal Arenedithiocarboxylates: A Facile Synthesis, Dimeric Structure, and Nonbonding Interaction between the Metals and Aromatic Ring Carbons
• Authors of publication: Shinzi Kato; Nobuyuki Kitaoka; Osamu Niyomura; Yuka Kitoh; Takahiro Kanda; Masahiro Ebihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 496 - 506
• a: 11.398 ± 0.001 Å
• b: 6.7021 ± 0.0009 Å
• c: 12.6595 ± 0.0006 Å
• α: 90°
• β: 96.022 ± 0.005°
• γ: 90°
• Cell volume: 961.73 ± 0.16 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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 significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0437
• Goodness-of-fit parameter for significantly intense reflections: 1.648
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No