Information card for entry 7043456

Structure parameters

• Formula: C40 H46 Cd3 N8 O14
• Calculated formula: C40 H46 Cd3 N8 O14
• SMILES: c12c(cccc1C=[N]1CC[NH]3CC[N]4=Cc5c6[O]7[Cd]89([O]2[Cd]1347ON(=O)=O)([O](c6ccc5)C)[O]1c2c(cccc2C=[N]2CC[NH]3CC[N]4=Cc5cccc([O]8C)c5[O]9[Cd]1234ON(=O)=O)OC)OC
• Title of publication: A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity
• Authors of publication: Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 22.4096 ± 0.0008 Å
• b: 12.5242 ± 0.0004 Å
• c: 16.1728 ± 0.0007 Å
• α: 90°
• β: 106.738 ± 0.004°
• γ: 90°
• Cell volume: 4346.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No