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Information card for entry 4305586
Preview
| Coordinates | 4305586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H70 N6 Na4 O41.26 V4 |
|---|---|
| Calculated formula | C34 H52 N6 Na4 O41.176 V4 |
| SMILES | OC.O.O.OC.O.O.c1c2C[N]34[V]5(O[V]678(=O)Oc9cc%10C[N]%11%12[V](O[V]%13%14%15(Oc1c(cc2O5)C[N]%15(CC(O%14)=O)CC(O%13)=O)=O)(OC(=O)C%12)(Oc%10cc9C[N]8(CC(O7)=O)CC(O6)=O)(=O)OC(C%11)=O)(OC(=O)C4)(=O)OC(C3)=O.[Na+].[Na+].[Na+].[Na+].O.[NH4+].[NH4+].O.O.O.O.O.O.O.O |
| Title of publication | Solid State and Aqueous Solution Characterization of Rectangular Tetranuclear VIV/V-p-Semiquinonate/Hydroquinonate Complexes Exhibiting a Proton Induced Electron Transfer |
| Authors of publication | Chryssoula Drouza; Anastasios D. Keramidas |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 7211 - 7224 |
| a | 12.288 ± 0.0004 Å |
| b | 19.1695 ± 0.0006 Å |
| c | 25.6802 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6049.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P n a a |
| Hall space group symbol | -P 2ac 2bc |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1516 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289031 (current) | 2024-01-11 | Fixing Z values and formulae |
4305586.cif |
| 179093 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/55. |
4305586.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305586.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305586.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305586.cif |
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