Information card for entry 7243077

Structure parameters

• Formula: C7 H14 N17 Na O3
• Calculated formula: C7 H14 N17 Na O3
• Title of publication: Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles
• Authors of publication: Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 31
• Pages of publication: 5377 - 5384
• a: 7.2417 ± 0.0006 Å
• b: 10.6666 ± 0.0007 Å
• c: 11.9926 ± 0.0009 Å
• α: 77.757 ± 0.002°
• β: 85.569 ± 0.002°
• γ: 80.379 ± 0.002°
• Cell volume: 891.72 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No