Information card for entry 8104715

Structure parameters

• Formula: C6 H12 N6 O4
• Calculated formula: C6 H12 N6 O4
• Title of publication: Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C6H12N6O4
• Authors of publication: Jin, Ze-Sen; Liu, Xiao-jing; Li, Zhuang-Yu; Liu, E.; Jian, Fang-fang; Liang, Tongling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 797 - 798
• a: 7.3652 ± 0.0003 Å
• b: 16.8683 ± 0.0007 Å
• c: 8.3779 ± 0.0003 Å
• α: 90°
• β: 101.525 ± 0.004°
• γ: 90°
• Cell volume: 1019.87 ± 0.07 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0265
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No