Information card for entry 4308189

Structure parameters

• Common name: Compound 4.H2O cbt
• Formula: C12 H20 Cl2 Co N2 O12 S
• Calculated formula: C12 H20 Cl2 Co N2 O12 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: 7.018 ± 0.005 Å
• b: 7.443 ± 0.005 Å
• c: 19.42 ± 0.005 Å
• α: 87.17 ± 0.005°
• β: 88.412 ± 0.005°
• γ: 85.967 ± 0.005°
• Cell volume: 1010.4 ± 1 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No