Information card for entry 7239655

Structure parameters

• Formula: C13 H28 N2 O5 S2
• Calculated formula: C13 H28 N2 O5 S2
• Title of publication: Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements
• Authors of publication: Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1063 - 1077
• a: 7.7711 ± 0.0004 Å
• b: 9.8984 ± 0.0004 Å
• c: 13.0562 ± 0.0005 Å
• α: 68.661 ± 0.004°
• β: 76.137 ± 0.004°
• γ: 76.487 ± 0.004°
• Cell volume: 896.21 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No