Information card for entry 7709933

Structure parameters

• Formula: C31 H39 I2 N7 O5 Zn2
• Calculated formula: C31 H39 I2 N7 O5 Zn2
• Title of publication: Effect of O-substitution in imidazole based Zn(II) dual fluorescent probes in the light of arsenate detection in potable water: A combined experimental and theoretical approach
• Authors of publication: Biswas, Sneha; CHOWDHURY, TANIA; Ghosh, Avik; Das, Abhijit K.; Das, Debasis
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.3913 ± 0.001 Å
• b: 10.536 ± 0.0007 Å
• c: 23.7205 ± 0.0016 Å
• α: 90°
• β: 98.667 ± 0.004°
• γ: 90°
• Cell volume: 3802.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.2099
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No