Information card for entry 7248933

Structure parameters

• Formula: C3 H8 N10 O
• Calculated formula: C3 H8 N10 O
• Title of publication: Constructing layered structure amidine-based pentazolate salts with low sensitivity
• Authors of publication: Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 30
• Pages of publication: 4114 - 4120
• a: 6.45 ± 0.005 Å
• b: 12.008 ± 0.01 Å
• c: 12.141 ± 0.011 Å
• α: 90°
• β: 102.19 ± 0.03°
• γ: 90°
• Cell volume: 919.1 ± 1.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.141
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No