Information card for entry 2011504

Structure parameters

• Chemical name: Terephthaldehyde Thiosemicarbazone Bis-N,N-Dimethylformamide
• Formula: C16 H26 N8 O2 S2
• Calculated formula: C16 H26 N8 O2 S2
• SMILES: NC(=S)N/N=C/c1ccc(cc1)/C=N/NC(=S)N.O=CN(C)C.O=CN(C)C
• Title of publication: Terephthalaldehyde bis(thiosemicarbazone) bis(dimethylformamide) solvate
• Authors of publication: Wu, De-Hong; He, Cheng; Duan, Chun-Ying; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1336 - 1337
• a: 28.227 ± 0.006 Å
• b: 5.991 ± 0.003 Å
• c: 12.873 ± 0.003 Å
• α: 90°
• β: 94.753 ± 0.019°
• γ: 90°
• Cell volume: 2169.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes