Information card for entry 7243078

Structure parameters

• Formula: C7 H18 N26
• Calculated formula: C7 H18 N26
• SMILES: c1([N-]c2nnnn2c2[n-]nnn2)nnnn1c1[n-]nnn1.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N
• 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: 7.234 ± 0.0013 Å
• b: 10.5985 ± 0.0019 Å
• c: 13.966 ± 0.003 Å
• α: 70.681 ± 0.005°
• β: 89.167 ± 0.006°
• γ: 71.541 ± 0.005°
• Cell volume: 953.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0971
• 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