Information card for entry 4508940

Structure parameters

• Common name: Tetramethylpropyldiammonium Dithiocyanate
• Formula: C9 H20 N4 S2
• Calculated formula: C9 H20 N4 S2
• Title of publication: Understanding the Role Structural Changes Play in the Formation of Strong and Weak Hydrogen Bonds in Tetramethylalkyldiammonium Dithiocyanate Salts
• Authors of publication: Wolstenholme, David J.; Weigand, Jan J.; Cameron, Elinor M.; Cameron, T. Stanley
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 282
• a: 7.5086 ± 0.0001 Å
• b: 11.3384 ± 0.0003 Å
• c: 16.1484 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.8 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No