Information card for entry 4516450

Structure parameters

• Formula: C14 H30 N8 O4 S2
• Calculated formula: C14 H30 N8 O4 S2
• SMILES: C(=S)(NC(=[NH2+])N)N.C(=O)(CCCCCCCCC(=O)[O-])[O-].C(=S)(NC(=[NH2+])N)N
• Title of publication: Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids
• Authors of publication: Janczak, Jan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 5097
• a: 22.814 ± 0.001 Å
• b: 9.1161 ± 0.0004 Å
• c: 10.6126 ± 0.0004 Å
• α: 90°
• β: 107.504 ± 0.004°
• γ: 90°
• Cell volume: 2104.95 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No