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Information card for entry 7063856
Preview
| Coordinates | 7063856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.42 H2.12 N0.3 O0.12 |
|---|---|
| Calculated formula | C2.42424 H2.12121 N0.30303 O0.121212 |
| Title of publication | Multifunctional rhodamine Schiff base sensor for Pb2+: fluorogenic switching, reusability, and structural elucidation through spectroscopic and molecular simulation |
| Authors of publication | Kumar, Ram; Singh, Bholey; Kakkar, Rita; Pani, Balaram |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 10.7014 ± 0.0006 Å |
| b | 13.0096 ± 0.0006 Å |
| c | 13.6186 ± 0.0007 Å |
| α | 90.271 ± 0.004° |
| β | 111.301 ± 0.005° |
| γ | 98.392 ± 0.004° |
| Cell volume | 1744.12 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0987 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.2092 |
| Weighted residual factors for all reflections included in the refinement | 0.2292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300111 (current) | 2025-06-18 | cif/ Adding structures of 7063856 via cif-deposit CGI script. |
7063856.cif |
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Users of the data should acknowledge the original authors of the
structural data.