Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546835
Preview
| Coordinates | 1546835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H3 Hf3 O13 S6 |
|---|---|
| Calculated formula | C9 H3 Hf3 O13 S6 |
| Title of publication | A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions |
| Authors of publication | Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 19 |
| Pages of publication | 4346 - 4350 |
| a | 34.901 ± 0.003 Å |
| b | 34.901 ± 0.003 Å |
| c | 34.901 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 42512 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 227 |
| Hermann-Mauguin space group symbol | F d -3 m |
| Hall space group symbol | -F 4vw 2vw 3 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.383 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1546835.cif |
| 199952 | 2017-08-26 | cif/ Adding structures of 1546834, 1546835 via cif-deposit CGI script. |
1546835.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.