Information card for entry 7718181

Structure parameters

• Formula: C18 H28 N42 O38
• Calculated formula: C18 H28 N42 O38
• Title of publication: A high-density energetic ammonium salt <i>via</i> a polynitropyrazolate counteranion.
• Authors of publication: Li, Miao; Zhang, Yubei; Dong, Yaqun; Liu, Jing; Liu, Yuji; Huang, Wei; Xiao, Chuan; Cheng, Guangbin; Tang, Yongxing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4444 - 4448
• a: 8.6521 ± 0.0011 Å
• b: 28.997 ± 0.002 Å
• c: 21.0931 ± 0.0019 Å
• α: 90°
• β: 100.523 ± 0.004°
• γ: 90°
• Cell volume: 5202.9 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No