Information card for entry 4349948

Structure parameters

• Formula: C56 H61.5 Cu2 N12 O8
• Calculated formula: C56 H64 Cu2 N12 O8
• SMILES: c12c(cccc1C=[N]1CCCn3c[n](cc3)[Cu]34([N](=Cc5c(c(ccc5)OC)O3)CCCn3c[n]([Cu]51([N](=Cc1c(O5)c(OC)ccc1)CCCn1ccnc1)O2)cc3)[N](=Cc1c(O4)c(OC)ccc1)CCCn1cncc1)OC
• Title of publication: An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection
• Authors of publication: Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 736
• a: 22.941 ± 0.005 Å
• b: 7.6098 ± 0.0012 Å
• c: 34.505 ± 0.007 Å
• α: 90°
• β: 105.03 ± 0.02°
• γ: 90°
• Cell volume: 5818 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2602
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.2945
• Weighted residual factors for all reflections included in the refinement: 0.3998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No