Information card for entry 4000884

Structure parameters

• Formula: C7 H12 N4 S3
• Calculated formula: C7 H12 N4 S3
• SMILES: CN(C)C1=NC(SS1)=[N+](C)C.C(#N)[S-]
• Title of publication: Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 4919
• a: 10.4094 ± 0.0016 Å
• b: 5.8636 ± 0.0009 Å
• c: 18.465 ± 0.003 Å
• α: 90°
• β: 99.965 ± 0.003°
• γ: 90°
• Cell volume: 1110 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No