Information card for entry 2311386

Structure parameters

• Chemical name: {(<i>R</i>)-<i>N</i>^2^-[(Benzo[<i>h</i>]quinolin-2-yl)methyl]-<i>N</i>^2'^-[(benzo[<i>h</i>]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethanesulfonato-κ<i>O</i>)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate
• Formula: C51.5 H35 Cl3 F6 N4 O6 S2 Zn
• Calculated formula: C51.5 H35 Cl3 F6 N4 O6 S2 Zn
• Title of publication: Crystal structure of {(<i>R</i>)-<i>N</i>²-[(benzo[<i>h</i>]quinolin-2-yl)meth-yl]-<i>N</i>^2'-[(benzo[<i>h</i>]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ⁴<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethane-sulfonato-κ<i>O</i>)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.
• Authors of publication: Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 7
• Pages of publication: 949 - 953
• a: 11.837 ± 0.004 Å
• b: 23.126 ± 0.007 Å
• c: 17.836 ± 0.005 Å
• α: 90°
• β: 94.165 ± 0.01°
• γ: 90°
• Cell volume: 4870 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.03 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No