Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4349377
Preview
| Coordinates | 4349377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis-[4-(4-carboxyphenyl)-1,2,4-triazole-N1,N2] dodecaoxidotetramolybdenum(VI) Hemihydrate |
|---|---|
| Formula | C18 H15 Mo4 N6 O16.5 |
| Calculated formula | C18 H14 Mo4 N6 O16.5 |
| Title of publication | Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior. |
| Authors of publication | Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | 4380 - 4394 |
| a | 9.9831 ± 0.0005 Å |
| b | 13.6626 ± 0.0006 Å |
| c | 10.1235 ± 0.0005 Å |
| α | 90° |
| β | 90.926 ± 0.006° |
| γ | 90° |
| Cell volume | 1380.62 ± 0.11 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 3 |
| Hermann-Mauguin space group symbol | P 1 2 1 |
| Hall space group symbol | P 2y |
| Residual factor for all reflections | 0.016 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0305 |
| Weighted residual factors for all reflections included in the refinement | 0.0307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4349377.cif |
| 233909 | 2019-11-23 | cif/ Adding structures of 4349376, 4349377, 4349378, 4349379 via cif-deposit CGI script. |
4349377.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.