Information card for entry 7240654

Structure parameters

• Formula: C6 H20 N14 Na2 O8
• Calculated formula: C6 H20 N14 Na2 O8
• 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: 7.2002 ± 0.0014 Å
• b: 17.795 ± 0.004 Å
• c: 8.1862 ± 0.0016 Å
• α: 90°
• β: 109.91 ± 0.03°
• γ: 90°
• Cell volume: 986.2 ± 0.4 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0649
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No