Information card for entry 4308185

Structure parameters

• Common name: Compound 5 cbab
• Formula: C12 H14 Cd N4 O7 S
• Calculated formula: C12 H14 Cd N4 O7 S
• Title of publication: Probing Anion-π Interactions in 1-D Co(II), Ni(II), and Cd(II) Coordination Polymers Containing Flexible Pyrazine Ligands
• Authors of publication: Cory A. Black; Lyall R. Hanton; Mark D. Spicer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3669 - 3679
• a: 7.429 ± 0.005 Å
• b: 30.728 ± 0.005 Å
• c: 8.143 ± 0.005 Å
• α: 90 ± 0.005°
• β: 116.802 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1659.2 ± 1.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No