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Information card for entry 4305585
Preview
| Coordinates | 4305585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H68 K N13 Na O35 V4 |
|---|---|
| Calculated formula | C37 H46 K N13 Na O35 V4 |
| SMILES | C1[N]23CC(=O)O[V]43(=O)(O[V]356(OC(=O)C[N]6(CC(=O)O5)Cc5cc6O[V]78(OC(=O)C[N]8(Cc6cc5O3)CC(=O)O7)(=O)O[V]356([N](Cc7c(cc1c(O4)c7)O3)(CC(=O)O6)CC(=O)O5)=O)=O)OC(=O)C2.[K+].O.O.O.O.O.O.[Na+].OC.CO.NC(=[NH2+])N.[NH2+]=C(N)N.NC(=[NH2+])N.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 | 18.2254 ± 0.0006 Å |
| b | 11.0201 ± 0.0004 Å |
| c | 31.0071 ± 0.001 Å |
| α | 90° |
| β | 96.603 ± 0.003° |
| γ | 90° |
| Cell volume | 6186.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1032 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1834 |
| Weighted residual factors for all reflections included in the refinement | 0.1931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179093 (current) | 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. |
4305585.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305585.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305585.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305585.cif |
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