Information card for entry 7713740

Structure parameters

• Formula: C10 H20 N16 Ni2 O16
• Calculated formula: C10 H20 N16 Ni2 O16
• 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: 9.187 ± 0.002 Å
• b: 10.547 ± 0.003 Å
• c: 13.348 ± 0.003 Å
• α: 90°
• β: 109.443 ± 0.007°
• γ: 90°
• Cell volume: 1219.6 ± 0.5 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: 0.047
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0707
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No