Information card for entry 1551530

Structure parameters

• Formula: C22 H16 Co F6 N4 O6 S2
• Calculated formula: C22 H16 Co F6 N4 O6 S2
• SMILES: c1ccc[n]2[Co]3(OS(=O)(=O)C(F)(F)F)([n]4c(cccc4)c4cccc[n]34)([n]3c(c12)cccc3)OS(=O)(=O)C(F)(F)F
• Title of publication: Crystal Structure of <i>cis</i>-Bis(2,2′-bipyridyl)bis(trifluoromethanesulfonato)cobalt(II)
• Authors of publication: TOYAMA, Mari; YAMAMOTO, Yu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 21
• a: 9.90587 ± 0.00016 Å
• b: 14.2978 ± 0.0002 Å
• c: 18.6626 ± 0.0003 Å
• α: 90°
• β: 101.667 ± 0.0017°
• γ: 90°
• Cell volume: 2588.61 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No