Information card for entry 7713738

Structure parameters

• Formula: C11 H22 N10 Ni O9
• Calculated formula: C11 H22 N10 Ni O9
• 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: 11.6407 ± 0.0007 Å
• b: 12.0947 ± 0.0007 Å
• c: 15.6754 ± 0.0009 Å
• α: 68.215 ± 0.002°
• β: 87.615 ± 0.002°
• γ: 85.471 ± 0.002°
• Cell volume: 2042.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No