Information card for entry 2214451

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^N,N')(carbonato-κ^2^O,O')cobalt(III) trifluoromethanesulfonate
• Formula: C22 H16 Co F3 N4 O6 S
• Calculated formula: C22 H16 Co F3 N4 O6 S
• SMILES: [Co]123(OC(=O)O1)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) trifluoromethanesulfonate
• Authors of publication: Lv, Yang-Xiao; Ling, Yun; Li, Huan; Zhang, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1906 - m1907
• a: 7.115 ± 0.003 Å
• b: 11.054 ± 0.005 Å
• c: 14.543 ± 0.006 Å
• α: 95.668 ± 0.006°
• β: 94.203 ± 0.005°
• γ: 90.046 ± 0.006°
• Cell volume: 1135.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes