Information card for entry 7241335

Structure parameters

• Formula: C6 H16 N18 O4
• Calculated formula: C6 H16 N18 O4
• SMILES: N(=O)([O-])=N/C(N)=N/c1nnc(nn1)/N=C(\N)N=N([O-])=O.NC(=[NH2+])N.NC(=[NH2+])N
• Title of publication: A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent
• Authors of publication: Cong, Zhang; Xiang, Chen; Yongpeng, Hu; Yang, Bai; Zhaoqi, Guo; Daidi, Fan; Haixia, Ma
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 60
• Pages of publication: 36287 - 36294
• a: 8.4812 ± 0.0018 Å
• b: 24.898 ± 0.005 Å
• c: 7.7969 ± 0.0016 Å
• α: 90°
• β: 95.961 ± 0.004°
• γ: 90°
• Cell volume: 1637.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1191
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No