Information card for entry 4502009

Structure parameters

• Common name: ‘Cadmium-Sulfate’
• Formula: C12 H34 Cd3 N24 O20 S4
• Calculated formula: C12 H34 Cd3 N24 O20 S4
• Title of publication: Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties
• Authors of publication: Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 4161
• a: 6.8147 ± 0.001 Å
• b: 10.3938 ± 0.0015 Å
• c: 14.487 ± 0.002 Å
• α: 106.352 ± 0.002°
• β: 97.049 ± 0.002°
• γ: 107.237 ± 0.002°
• Cell volume: 916.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No