Information card for entry 1559229

Structure parameters

• Chemical name: Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate
• Formula: C18 H13 Cl2 F3 N4 O3 S Zn
• Calculated formula: C18 H13 Cl2 F3 N4 O3 S Zn
• SMILES: [Zn]12(Cl)(OS(=O)(=O)C(F)(F)F)[n]3c(c4[n]1cccc4)cc(Cl)cc3c1[n]2cccc1.N#CC
• Title of publication: Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate
• Authors of publication: Adrian, Rafael A.; Arman, Hadi D.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 9
• Pages of publication: x201292
• a: 7.655 ± 0.0014 Å
• b: 15.329 ± 0.003 Å
• c: 18.486 ± 0.004 Å
• α: 90°
• β: 92.088 ± 0.007°
• γ: 90°
• Cell volume: 2167.8 ± 0.7 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes