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Information card for entry 7058887
Preview
| Coordinates | 7058887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 N4 O5 |
|---|---|
| Calculated formula | C17 H12 N4 O5 |
| Title of publication | “Naked eye” detection of CN- from aqueous phase and other extracellular matrices: An experimental and theoretical approach mimicking logic gate concept |
| Authors of publication | Bej, Sourav; Das, Riyanka; Hirani, Harish; Ghosh, Somnath; Banerjee, Priyabrata |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 7.7345 ± 0.0008 Å |
| b | 7.2239 ± 0.0006 Å |
| c | 13.9285 ± 0.0013 Å |
| α | 90° |
| β | 90.6 ± 0.007° |
| γ | 90° |
| Cell volume | 778.19 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1623 |
| Residual factor for significantly intense reflections | 0.1504 |
| Weighted residual factors for significantly intense reflections | 0.3544 |
| Weighted residual factors for all reflections included in the refinement | 0.3589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219308 (current) | 2019-10-12 | cif/ Adding structures of 7058887 via cif-deposit CGI script. |
7058887.cif |
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Users of the data should acknowledge the original authors of the
structural data.