Information card for entry 4308186

Structure parameters

• Common name: Compound 1 cbh
• Formula: C14 H16 Cl2 Co N6 O8 S
• Calculated formula: C14 H16 Cl2 Co N6 O8 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: 11.672 ± 0.005 Å
• b: 12.952 ± 0.005 Å
• c: 14.072 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.084 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2111.1 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No