Information card for entry 7037852

Structure parameters

• Formula: C8 H26 Mg N16 O14
• Calculated formula: C8 H26 Mg N16 O14
• SMILES: c1n(c([O-])nn1)/N=N/N1C(=O)NN=C1.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1(=O)NN=CN1/N=N/n1c([O-])nnc1.O.O
• Title of publication: Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.
• Authors of publication: Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3590 - 3598
• a: 19.528 ± 0.005 Å
• b: 10.445 ± 0.003 Å
• c: 12.557 ± 0.003 Å
• α: 90°
• β: 110.294 ± 0.002°
• γ: 90°
• Cell volume: 2402.3 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No