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Information card for entry 4344719
Preview
| Coordinates | 4344719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 N2 O5 V |
|---|---|
| Calculated formula | C25 H21 N2 O5 V |
| SMILES | c12c(c3ccccc3cc1)C(C)=[N]1N=C(c3cc4ccccc4cc3O)O[V]1(O2)(=O)OCC |
| 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 | 6.06519 ± 0.00007 Å |
| b | 17.9476 ± 0.0003 Å |
| c | 21.00558 ± 0.00019 Å |
| α | 69.4104 ± 0.0011° |
| β | 89.5791 ± 0.0008° |
| γ | 88.6613 ± 0.001° |
| Cell volume | 2139.93 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1831 |
| Weighted residual factors for all reflections included in the refinement | 0.1845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4344719.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. |
4344719.cif |
| 175588 | 2016-02-04 | cif/ Adding structures of 4344719 via cif-deposit CGI script. |
4344719.cif |
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Users of the data should acknowledge the original authors of the
structural data.