Information card for entry 7202463

Structure parameters

• Common name: Dimethylethylenediammonium Dithiocyanate
• Formula: C6 H14 N4 S2
• Calculated formula: C6 H14 N4 S2
• Title of publication: The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules?
• Authors of publication: Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 3569 - 3577
• a: 6.6966 ± 0.0003 Å
• b: 9.2281 ± 0.0001 Å
• c: 9.6691 ± 0.0007 Å
• α: 68.627 ± 0.014°
• β: 81.3 ± 0.02°
• γ: 75.717 ± 0.019°
• Cell volume: 537.98 ± 0.08 ų
• Cell temperature: 123.1 ± 0.5 K
• Ambient diffraction temperature: 123.1 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1267
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No