Information card for entry 7060062

Structure parameters

• Formula: C5 H18 Mg N10 O11
• Calculated formula: C5 H18 Mg N10 O11
• Title of publication: Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate
• Authors of publication: Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19054 - 19060
• a: 10.847 ± 0.002 Å
• b: 8.7335 ± 0.0017 Å
• c: 17.643 ± 0.004 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 1671 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No