Information card for entry 7201272

Structure parameters

• Formula: C30 H50 N4 S4
• Calculated formula: C30 H50 N4 S4
• SMILES: C(=S)(N(CCN(C(=S)[S-])Cc1ccccc1)Cc1ccccc1)[S-].[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine
• Authors of publication: Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2417
• a: 15.677 ± 0.003 Å
• b: 10.452 ± 0.002 Å
• c: 20.855 ± 0.004 Å
• α: 90°
• β: 103.12 ± 0.03°
• γ: 90°
• Cell volume: 3328 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1304
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.241
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No