Information card for entry 7712012

Structure parameters

• Formula: C7 H11 N15 O3
• Calculated formula: C7 H11 N15 O3
• Title of publication: Facile synthesis of thermally stable tetrazolo[1,5-<i>b</i>][1,2,4]triazine substituted energetic materials: synthesis and characterization.
• Authors of publication: Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 747 - 753
• a: 6.6541 ± 0.0013 Å
• b: 9.5463 ± 0.0018 Å
• c: 10.9893 ± 0.0019 Å
• α: 105.143 ± 0.006°
• β: 92.926 ± 0.007°
• γ: 96.537 ± 0.007°
• Cell volume: 667.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No