Information card for entry 4307773

Structure parameters

• Formula: C H1.5 N1.5 O2.5 S0.5 Zn
• Calculated formula: C H1.5 N1.5 O2.5 S0.5 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: 7.3183 ± 0.0004 Å
• b: 6.8119 ± 0.0004 Å
• c: 13.7846 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 687.18 ± 0.07 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No