Information card for entry 2219760

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}bis(trifluoromethanesulfanato- κ<i>O</i>)copper(II)
• Formula: C18 H18 Cu F6 N4 O6 S2
• Calculated formula: C18 H18 Cu F6 N4 O6 S2
• SMILES: [Cu]123(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[n]4ccccc4C(=[N]1CC[N]2=C(C)c1[n]3cccc1)C
• Title of publication: {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}bis(trifluoromethanesulfanato-κ<i>O</i>)copper(II)
• Authors of publication: Coles, Simon J.; Sengul, Abdurrahman; Kurt, Ozgur; Altin, Safinaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1435
• a: 9.2228 ± 0.0004 Å
• b: 25.5574 ± 0.0013 Å
• c: 9.8189 ± 0.0005 Å
• α: 90°
• β: 94.961 ± 0.003°
• γ: 90°
• Cell volume: 2305.75 ± 0.19 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes