Information card for entry 4502010

Structure parameters

• Common name: ‘Cadmium-Sulfate’
• Formula: C5 H5 Cd N5 O4 S
• Calculated formula: C5 H5 Cd N5 O4 S
• 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: 6.701 ± 0.0013 Å
• b: 11.86 ± 0.002 Å
• c: 11.19 ± 0.002 Å
• α: 90°
• β: 103.73 ± 0.03°
• γ: 90°
• Cell volume: 863.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No