Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706788
Preview
| Coordinates | 7706788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 N2 O3 V |
|---|---|
| Calculated formula | C22 H30 N2 O3 V |
| SMILES | [V]123(=O)Oc4c(cc(cc4C[N]1(C)CC[N]2(C)Cc1c(c(cc(c1)C)C)O3)C)C |
| Title of publication | Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties. |
| Authors of publication | Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 5184 - 5196 |
| a | 13.376 ± 0.005 Å |
| b | 11.01 ± 0.003 Å |
| c | 15.427 ± 0.006 Å |
| α | 90° |
| β | 113 ± 0.04° |
| γ | 90° |
| Cell volume | 2091.3 ± 1.4 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706788.cif |
| 266075 | 2021-06-05 | cif/ Updating files of 7706786, 7706787, 7706788, 7706789, 7706790, 7706791 Original log message: Adding full bibliography for 7706786--7706791.cif. |
7706788.cif |
| 262787 | 2021-03-06 | cif/ Adding structures of 7706786, 7706787, 7706788, 7706789, 7706790, 7706791 via cif-deposit CGI script. |
7706788.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.