Information card for entry 4321759

Structure parameters

• Formula: C9 H11 Na O2 S2
• Calculated formula: C8 H7 Na0.355 S2
• SMILES: C(=S)(c1ccc(cc1)C)[S-].[Na+]
• 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: 18.727 ± 0.004 Å
• b: 10.5 ± 0.002 Å
• c: 4.2192 ± 0.0008 Å
• α: 89.98 ± 0.01°
• β: 90.01 ± 0.02°
• γ: 90.02 ± 0.01°
• Cell volume: 829.6 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• 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: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 2.705
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No