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Information card for entry 4305583
Preview
| Coordinates | 4305583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H66 N13 Na O34 V4 |
|---|---|
| Calculated formula | C37 H52 N13 Na O34 V4 |
| SMILES | C1[N]23CC(=O)O[V]43(=O)(OC(=O)C2)O[V]235(=O)[N](CC(=O)O5)(CC(=O)O2)Cc2c(O3)cc3C[N]56CC(=O)O[V]5(=O)(Oc3c2)(OC(=O)C6)O[V]235(=O)[N](Cc6c(cc1c(O4)c6)O2)(CC(=O)O3)CC(=O)O5.C(C)O.NC(=[NH2+])N.O.O.[Na+].O.O.O.O.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N |
| 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 | 19.3035 ± 0.0011 Å |
| b | 10.9657 ± 0.0005 Å |
| c | 28.3894 ± 0.0015 Å |
| α | 90° |
| β | 101.404 ± 0.005° |
| γ | 90° |
| Cell volume | 5890.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.092 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4305583.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305583.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305583.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305583.cif |
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