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Information card for entry 7222356
Preview
| Coordinates | 7222356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 N7 O S2 V |
|---|---|
| Calculated formula | C14 H19 N7 O S2 V |
| SMILES | [V]12(=O)([NH](Cn3[n]1c(cc3C)C)Cn1[n]2c(cc1C)C)(N=C=S)N=C=S |
| Title of publication | New oxovanadium(IV) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity. |
| Authors of publication | Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata; Barszcz, Boleslaw |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.8544 ± 0.0004 Å |
| b | 11.2802 ± 0.0004 Å |
| c | 19.5722 ± 0.0008 Å |
| α | 90° |
| β | 100.708 ± 0.004° |
| γ | 90° |
| Cell volume | 1920.82 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0893 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159057 (current) | 2015-09-30 | cif/ Adding structures of 7222356, 7222357 via cif-deposit CGI script. |
7222356.cif |
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Users of the data should acknowledge the original authors of the
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