Information card for entry 4338822

Structure parameters

• Formula: C50 H50 Cu4 N10 O16
• Calculated formula: C50 H50 Cu4 N10 O16
• SMILES: C1(=N[N]2[Cu]34(O1)[O]1c5c(C=2)cc(cc5C=[N]2NC(=[O][Cu]12(ON(=O)=O)[O]3(C)[Cu]123[N](=Cc5c6[O]2[Cu]2([N](NC(=[O]2)c2ccccc2)=Cc6cc(c5)C)(ON(=O)=O)[O]43C)N=C(c2ccccc2)O1)c1ccccc1)C)c1ccccc1.OC.OC
• 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: 8.9232 ± 0.0005 Å
• b: 15.2216 ± 0.001 Å
• c: 19.3282 ± 0.0013 Å
• α: 90°
• β: 94.197 ± 0.003°
• γ: 90°
• Cell volume: 2618.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0831
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No