Information card for entry 4308187

Structure parameters

• Common name: Compound 2 cbd
• Formula: C10 H10 N6 Ni O6 S
• Calculated formula: C10 H10 N6 Ni O6 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: 8.8097 ± 0.0004 Å
• b: 14.2323 ± 0.001 Å
• c: 11.2912 ± 0.0007 Å
• α: 90°
• β: 92.835 ± 0.004°
• γ: 90°
• Cell volume: 1413.98 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No