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Information card for entry 7133914
Preview
| Coordinates | 7133914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N2 O4 |
|---|---|
| Calculated formula | C7 H6 N2 O4 |
| Title of publication | Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation. |
| Authors of publication | Harsha, Priyasha; Das, Dinabandhu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 95 |
| Pages of publication | 14105 - 14108 |
| a | 9.4072 ± 0.001 Å |
| b | 10.9721 ± 0.0013 Å |
| c | 7.5088 ± 0.001 Å |
| α | 90° |
| β | 100.453 ± 0.004° |
| γ | 90° |
| Cell volume | 762.17 ± 0.16 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296323 (current) | 2024-12-06 | cif/ Updating files of 7133913, 7133914, 7133915, 7133916, 7133917, 7133918, 7133919, 7133920, 7133921 Original log message: Adding full bibliography for 7133913--7133921.cif. |
7133914.cif |
| 295721 | 2024-11-02 | cif/ Adding structures of 7133913, 7133914, 7133915, 7133916, 7133917, 7133918, 7133919, 7133920, 7133921 via cif-deposit CGI script. |
7133914.cif |
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Users of the data should acknowledge the original authors of the
structural data.