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Information card for entry 7250100
Preview
| Coordinates | 7250100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 Hg2 K2 N6 S2 |
|---|---|
| Calculated formula | C6 Hg2 K2 N6 S2 |
| Title of publication | Thermal and pressure response of KHg(CN)<sub>2</sub>(SCN). |
| Authors of publication | Jain, Aashna; Ghalsasi, Pallavi; Tothadi, Srinu; Garg, Nandini; Garg, Alka B.; Jha, Prafulla K.; Mande, Hemant; Ghalsasi, Prasanna S. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2025 |
| a | 4.2576 ± 0.0003 Å |
| b | 19.0419 ± 0.0012 Å |
| c | 9.1464 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 741.52 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298398 (current) | 2025-03-12 | cif/ Adding structures of 7250100 via cif-deposit CGI script. |
7250100.cif |
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Users of the data should acknowledge the original authors of the
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