Information card for entry 7113807

Structure parameters

• Common name: (Naphthalen-1-ylmethyl-(1-(6-(1-(naphthalen-1-ylmethylimino)- ethyl) -pyridin-2-yl)-ethylidene)-amine)(1-(6-(1-(Naphthalen-1- ylmethylimino) -ethyl)-pyridin-2-yl)- ethanone)zinc(ii)trifluoromethanesulfonate
• Chemical name: (Naphthalen-1-ylmethyl-(1-{6-[1-(naphthalen-1-ylmethylimino)-ethyl] -pyridin-2-yl}-ethylidene)-amine)(1-{6-[1-(Naphthalen-1-ylmethylimino) -ethyl]-pyridin-2-yl}-ethanone)zinc(II)trifluoromethanesulfonate
• Formula: C53 H45 F6 N5 O7 S2 Zn
• Calculated formula: C53 H45 F6 N5 O7 S2 Zn
• SMILES: [Zn]1234([N](Cc5c6ccccc6ccc5)=C(C)c5[n]1c(ccc5)C(=[N]2Cc1cccc2c1cccc2)C)[N](Cc1c2ccccc2ccc1)=C(C)c1[n]3c(ccc1)C(=[O]4)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Light-emitting charge transfer species promoted by metal ion coordinationElectronic Supplementary Information (ESI) available: synthesis of ligands I and II; experimental details for spectrophotometric, spectrofluorimetric and NMR determinations; additional figures (Fig. S1 and Fig. S2). See http://www.rsc.org/suppdata/cc/b3/b309148a/
• Authors of publication: Boiocchi, Massimo; Colucci, Guido; Licchelli, Maurizio; Monzani, Enrico; Sacchi, Donatella
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 2906
• a: 15.8076 ± 0.0017 Å
• b: 19.059 ± 0.002 Å
• c: 17.956 ± 0.002 Å
• α: 90°
• β: 110.554 ± 0.003°
• γ: 90°
• Cell volume: 5065.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No