Information card for entry 7718532

Structure parameters

• Formula: C5 H3 N9 O5 S
• Calculated formula: C5 H3 N9 O5 S
• Title of publication: Exploring new frontiers: alliance of pyrazole and thiadiazole in energetic materials.
• Authors of publication: Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7194 - 7197
• a: 5.3298 ± 0.0002 Å
• b: 13.0514 ± 0.0004 Å
• c: 15.3353 ± 0.0005 Å
• α: 90°
• β: 96.423 ± 0.001°
• γ: 90°
• Cell volume: 1060.05 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No