Information card for entry 4307779

Structure parameters

• Formula: C8 H12 Cd8 N12 O23 S5
• Calculated formula: C8 H12 Cd8 N12 O23 S5
• 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: 9.1409 ± 0.0004 Å
• b: 13.5467 ± 0.0007 Å
• c: 13.5525 ± 0.0007 Å
• α: 90°
• β: 108.487 ± 0.001°
• γ: 90°
• Cell volume: 1591.59 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No