Information card for entry 4321760

Structure parameters

• Formula: C36 H57 N3 S6
• Calculated formula: C36 H57 N3 S6
• 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: 16.392 ± 0.002 Å
• b: 9.318 ± 0.003 Å
• c: 27.493 ± 0.002 Å
• α: 90°
• β: 100.074 ± 0.009°
• γ: 90°
• Cell volume: 4134.6 ± 1.5 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: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0558
• Goodness-of-fit parameter for significantly intense reflections: 2.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No