Information card for entry 7240657

Structure parameters

• Formula: C4 H4 K N7 O
• Calculated formula: C4 H4 K N7 O
• Title of publication: New nitrogen-rich heterocycle compound to build 3D energetic metal complexes
• Authors of publication: Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 3.9924 ± 0.0008 Å
• b: 12.192 ± 0.002 Å
• c: 7.7023 ± 0.0015 Å
• α: 90°
• β: 95.44 ± 0.03°
• γ: 90°
• Cell volume: 373.22 ± 0.12 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No