Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250729
Preview
| Coordinates | 7250729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As4 Cl2 H10 N2 O7 |
|---|---|
| Calculated formula | As4 Cl2 H10.0012 N2.0002 O7.0002 |
| Title of publication | Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides |
| Authors of publication | Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 36 |
| Pages of publication | 5983 - 5988 |
| a | 5.26981 ± 0.00014 Å |
| b | 5.26981 ± 0.00014 Å |
| c | 12.545 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 301.71 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 190000 ± 50000 kPa |
| Ambient diffracton pressure | 190000 ± 50000 kPa |
| Number of distinct elements | 5 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.4956 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302581 (current) | 2025-10-06 | cif/ Updating files of 7250713, 7250714, 7250715, 7250716, 7250717, 7250718, 7250719, 7250720, 7250721, 7250722, 7250723, 7250724, 7250725, 7250726, 7250727, 7250728, 7250729, 7250730, 7250731, 7250732, 7250733, 7250734, 7250735, 7250736, 7250737, 7250738, 7250739, 7250740, 7250741, 7250742, 7250743, 7250744, 7250745, 7250746, 7250747, 7250748, 7250749 Original log message: Adding full bibliography for 7250713--7250749.cif. |
7250729.cif |
| 301401 | 2025-07-30 | cif/ Adding structures of 7250720, 7250721, 7250722, 7250723, 7250724, 7250725, 7250726, 7250727, 7250728, 7250729, 7250730, 7250731, 7250732, 7250733, 7250734, 7250735, 7250736, 7250737, 7250738, 7250739, 7250740, 7250741, 7250742, 7250743, 7250744, 7250745, 7250746, 7250747, 7250748, 7250749 via cif-deposit CGI script. |
7250729.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.