Information card for entry 8105368

Structure parameters

• Chemical name: acetoximium 1'-hydroxy-1H,1H'-5,5'-bitetrazole-1-olate monohydrate
• Formula: C5 H11 N9 O4
• Calculated formula: C5 H11 N9 O4
• Title of publication: The crystal structure of acetoximium 1′-hydroxy-1H,1H′-5,5′-bitetrazole-1-olate monohydrate, C5H11N9O4
• Authors of publication: Rubian, Cao; Lizhen, Chen; Jianlong, Wang; Luting, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1027 - 1028
• a: 7.4259 ± 0.0005 Å
• b: 6.6115 ± 0.0005 Å
• c: 21.9579 ± 0.0014 Å
• α: 90°
• β: 93.073 ± 0.002°
• γ: 90°
• Cell volume: 1076.5 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.1102
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No