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Information card for entry 7028808
Preview
| Coordinates | 7028808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 Cu2 N4 O38 V10 |
|---|---|
| Calculated formula | C24 H16 Cu2 N4 O38 V10 |
| SMILES | c12c3[n]4cccc3ccc2ccc[n]1[Cu]4([OH2])([OH2])[OH2].O1[V]234(=O)[O]5[V]678(O[V]9%10%11(=O)O[V]%12(O[V]%13%14(=O)([O]%15[V]%16%17%18([O]%19%203[V]3(O2)(O[V]1(O[V]5%19([O]6%10%13[V]%15%20(O%12)([O]47)O3)([O]%14%16)O%11)(=O)O%17)(O%18)=O)=O)O9)(=O)O8)=O.O.O.c12c3c4ccc[n]3[Cu]([n]2cccc1cc4)([OH2])([OH2])[OH2].O.O |
| Title of publication | Ligand mediated valence fluctuation of copper in new hybrid materials constructed from decavanadate and a Cu(1,10-phenanthroline) complex. |
| Authors of publication | Iyer, Abishek K.; Roy, Soumyabrata; Haridasan, Remesh; Sarkar, Sumanta; Peter, Sebastian C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 5 |
| Pages of publication | 2153 - 2160 |
| a | 8.3733 ± 0.0005 Å |
| b | 10.4132 ± 0.0006 Å |
| c | 13.5904 ± 0.0008 Å |
| α | 92.295 ± 0.004° |
| β | 92.331 ± 0.004° |
| γ | 98.086 ± 0.004° |
| Cell volume | 1170.98 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1313 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.163 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179994 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88. |
7028808.cif |
| 105431 | 2014-03-12 | cif/ Adding structures of 7028807, 7028808 via cif-deposit CGI script. |
7028808.cif |
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