Information card for entry 4308188

Structure parameters

• Common name: Compound 3.H2O cbe
• Formula: C12 H17 Cd2 N9 O14 S
• Calculated formula: C12 H17 Cd2 N9 O14 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: 7.4224 ± 0.0001 Å
• b: 26.3251 ± 0.0005 Å
• c: 13.7056 ± 0.0002 Å
• α: 90°
• β: 116.653 ± 0.001°
• γ: 90°
• Cell volume: 2393.45 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No