Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4344715
Preview
| Coordinates | 4344715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H17 N2 O4 S V |
|---|---|
| Calculated formula | C19 H17 N2 O4 S V |
| Title of publication | Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior. |
| Authors of publication | Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 1165 - 1182 |
| a | 9.75757 ± 0.00009 Å |
| b | 15.62094 ± 0.00014 Å |
| c | 11.92282 ± 0.00011 Å |
| α | 90° |
| β | 91.8964 ± 0.0008° |
| γ | 90° |
| Cell volume | 1816.31 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344715.cif |
| 288505 | 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. |
4344715.cif |
| 264552 | 2021-04-26 | cif/4/34/47/ Removed the _chemical_name_systematic data item from entry 4344715 since it had an incorrect value. |
4344715.cif |
| 175583 | 2016-02-04 | cif/ Adding structures of 4344715 via cif-deposit CGI script. |
4344715.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.