Information card for entry 2208467

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^N,N')copper(I) trifluoromethanesulfonate
• Formula: C21 H16 Cu F3 N4 O3 S
• Calculated formula: C21 H16 Cu F3 N4 O3 S
• SMILES: [Cu]12([n]3c(c4[n]1cccc4)cccc3)[n]1c(c3[n]2cccc3)cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I) trifluoromethanesulfonate
• Authors of publication: Pintauer Tomislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m620 - m622
• a: 9.3749 ± 0.0004 Å
• b: 11.6692 ± 0.0005 Å
• c: 20.0628 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194.82 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes