Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7222357
Preview
| Coordinates | 7222357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 N7 O S2 V |
|---|---|
| Calculated formula | C21 H27 N7 O S2 V |
| 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 | 7.7159 ± 0.0007 Å |
| b | 16.2503 ± 0.0012 Å |
| c | 10.3876 ± 0.0008 Å |
| α | 90° |
| β | 103.466 ± 0.009° |
| γ | 90° |
| Cell volume | 1266.65 ± 0.18 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
7222357.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.