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Information card for entry 7028807
Preview
| Coordinates | 7028807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 Cl2 Cu2 N4 O36 V10 |
|---|---|
| Calculated formula | C24 H16 Cl2 Cu2 N4 O36 V10 |
| SMILES | c12c3[n]4cccc3ccc2ccc[n]1[Cu]4(Cl)([OH2])[OH2].O1[V]234([O]567[V]89([O]%10[V]%11%125(O[V]5%13(O[V]%14%15%10([O]8[V]8%10%166O[V]1(=O)(O9)O[V]17(=O)([O]8[V]6([O]%11%15%10[V](O5)(O%14)(O6)(=O)O%16)([O]%121)(O%13)=O)O3)=O)=O)O4)(O2)=O)=O.O.O.c12c3c4ccc[n]3[Cu]([n]2cccc1cc4)(Cl)([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 | 8.3886 ± 0.0003 Å |
| b | 10.4266 ± 0.0004 Å |
| c | 13.586 ± 0.0005 Å |
| α | 92.44 ± 0.002° |
| β | 92.315 ± 0.002° |
| γ | 98.16 ± 0.002° |
| Cell volume | 1173.9 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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. |
7028807.cif |
| 105431 | 2014-03-12 | cif/ Adding structures of 7028807, 7028808 via cif-deposit CGI script. |
7028807.cif |
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