Information card for entry 7039322

Structure parameters

• Formula: C3 H3 I2 N3
• Calculated formula: C3 H3 I2 N3
• Title of publication: Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.
• Authors of publication: Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9684 - 9688
• a: 11.4559 ± 0.0008 Å
• b: 4.1982 ± 0.0003 Å
• c: 7.7048 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 370.56 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No