Information card for entry 4338823

Structure parameters

• Formula: C46 H38 N8 O6 Zn2
• Calculated formula: C46 H38 N8 O6 Zn2
• SMILES: C1(c2ccccc2)N[N]2=Cc3c4[O]5[Zn]672([O]=1)[N](=Cc1c2[O]7[Zn]785([N](NC(=[O]7)c5ccccc5)=Cc4cc(c3)C)[N](NC(=[O]8)c3ccccc3)=Cc2cc(c1)C)NC(c1ccccc1)=[O]6
• Title of publication: Differentially selective chemosensor with fluorescence off-on responses on cu(2+) and zn(2+) ions in aqueous media and applications in pyrophosphate sensing, live cell imaging, and cytotoxicity.
• Authors of publication: Anbu, Sellamuthu; Ravishankaran, Rajendran; Guedes da Silva, M Fátima C; Karande, Anjali A.; Pombeiro, Armando J. L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6655 - 6664
• a: 24.8851 ± 0.0009 Å
• b: 15.0765 ± 0.0005 Å
• c: 16.2798 ± 0.0006 Å
• α: 90°
• β: 122.849 ± 0.001°
• γ: 90°
• Cell volume: 5131.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No