Information card for entry 4307771

Structure parameters

• Formula: C2 H2 Br N3 Zn
• Calculated formula: C2 H2 Br N3 Zn
• Title of publication: Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems
• Authors of publication: Wayne Ouellette; Bruce S. Hudson; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4887 - 4904
• a: 6.3341 ± 0.0006 Å
• b: 9.6687 ± 0.0009 Å
• c: 9.0805 ± 0.0008 Å
• α: 90°
• β: 102.888 ± 0.002°
• γ: 90°
• Cell volume: 542.1 ± 0.09 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0196
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No