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Information card for entry 1573878
Preview
| Coordinates | 1573878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 Br4 N2 O2 |
|---|---|
| Calculated formula | C20 H18 Br4 N2 O2 |
| Title of publication | Robust PET-Based Chiral Schiff Base Molecular Probe for Recognition of Hg2+ and Pb2+ and Its Live Cell Imaging |
| Authors of publication | S, Benita Jeba Silviya; S, Michlin Ruphina Maragatham; Andrews, Jebastin S. G.; Bhuvanesh, Nattamai S. P.; J, Winfred Jebaraj; Chithiraivel, Balakrishnan |
| Journal of publication | Analytical Methods |
| Year of publication | 2025 |
| a | 15.9413 ± 0.0008 Å |
| b | 9.245 ± 0.0005 Å |
| c | 16.0151 ± 0.0008 Å |
| α | 90° |
| β | 110.54 ± 0.002° |
| γ | 90° |
| Cell volume | 2210.2 ± 0.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0415 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297681 (current) | 2025-02-12 | cif/ Adding structures of 1573878 via cif-deposit CGI script. |
1573878.cif |
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Users of the data should acknowledge the original authors of the
structural data.