Information card for entry 1513595

Structure parameters

• Formula: C38 H34 Cd2 Cl2 N12 O10
• Calculated formula: C38 H34 Cd2 Cl2 N12 O10
• SMILES: [Cd]12345[O]6[Cd]789([O]1c1c(C=[N]5Nc5[n]4cccc5)cc(cc1C=[N]8Nc1[n]7cccc1)C)[n]1ccccc1N[N]9=Cc1cc(cc(C=[N]3Nc3[n]2cccc3)c61)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A novel 2,6-diformyl-4-methylphenol based chemosensor for Zn(II) ions by ratiometric displacement of Cd(II) ions and its application for cell imaging on human melanoma cancer cells.
• Authors of publication: Jana, Atanu; Sukul, Pradip K.; Mandal, Sushil K.; Konar, Saugata; Ray, Sangita; Das, Kinsuk; Golen, James A.; Rheingold, Arnold L.; Mondal, Sudipa; Mondal, Tapan K.; Khuda-Bukhsh, Anisur R; Kar, Susanta K.
• Journal of publication: The Analyst
• Year of publication: 2014
• Journal volume: 139
• Journal issue: 2
• Pages of publication: 495 - 504
• a: 23.0762 ± 0.0015 Å
• b: 12.6124 ± 0.0006 Å
• c: 17.5274 ± 0.0013 Å
• α: 90°
• β: 116.601 ± 0.001°
• γ: 90°
• Cell volume: 4561.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No