Information card for entry 7703638

Structure parameters

• Formula: C33 H18.5 Br4 Cl3 N4 O2 Zn
• Calculated formula: C33 H18 Br4 Cl3 N4 O2 Zn
• SMILES: Brc1cc(Br)cc2C=[N]3[Zn]45(Oc6c(C=[N]4c4c7[n]5cccc7ccc4)cc(Br)cc6Br)(Oc12)[n]1c2c3cccc2ccc1.ClC(Cl)Cl
• Title of publication: The development of two fluorescent chemosensors for the selective detection of Zn²⁺ and Al³⁺ ions in a quinoline platform by tuning the substituents in the receptor part: elucidation of the structures of the metal-bound chemosensors and biological studies.
• Authors of publication: Ghorai, Pravat; Pal, Kunal; Karmakar, Parimal; Saha, Amrita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4758 - 4773
• a: 11.5856 ± 0.0009 Å
• b: 12.9455 ± 0.001 Å
• c: 13.6796 ± 0.001 Å
• α: 80.891 ± 0.003°
• β: 66.13 ± 0.003°
• γ: 63.965 ± 0.003°
• Cell volume: 1685.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2214
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No