Information card for entry 4505190

Structure parameters

• Formula: C16 H26 N4 S2
• Calculated formula: C16 H19 N4 S2
• Title of publication: Crystal Engineering with Bis(thiourea) Derivatives†
• Authors of publication: Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2288
• a: 8.834 ± 0.004 Å
• b: 12.4201 ± 0.0018 Å
• c: 17.0105 ± 0.0017 Å
• α: 90°
• β: 96.51 ± 0.02°
• γ: 90°
• Cell volume: 1854.3 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections: 1.58
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No