Information card for entry 7713736

Structure parameters

• Formula: C5 H10 N8 O8 Zn
• Calculated formula: C5 H10 N8 O8 Zn
• Title of publication: Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole
• Authors of publication: Yadav, Abhishek Kumar; Rajak, Richa; Ghule, Vikas; Dharavath, Srinivas
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.841 ± 0.003 Å
• b: 13.32 ± 0.005 Å
• c: 10.831 ± 0.004 Å
• α: 90°
• β: 99.819 ± 0.009°
• γ: 90°
• Cell volume: 1256.8 ± 0.8 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: 0.0521
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No