Information card for entry 1513088

Structure parameters

• Formula: C10 H4 N4 S4
• Calculated formula: C10 H4 N4 S4
• SMILES: c1csc(n1)c1nc2c(s1)nc(s2)c1nccs1
• Title of publication: Temperature-Dependent Current‒Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles
• Authors of publication: Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 48
• Pages of publication: 25325
• a: 5.8139 ± 0.0014 Å
• b: 5.8101 ± 0.0014 Å
• c: 17.366 ± 0.004 Å
• α: 90°
• β: 101.604 ± 0.002°
• γ: 90°
• Cell volume: 574.6 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No