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Information card for entry 7040435
Preview
| Coordinates | 7040435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H27 Cu3 N8 O11 |
|---|---|
| Calculated formula | C36 H27 Cu3 N8 O11 |
| SMILES | [Cu]123[n]4c(C(=[N]3O[Cu]35[N](O[Cu]6([n]7ccccc7C(=[N]6O2)c2ccccc2)[OH]13)=C(c1[n]5cccc1)c1ccccc1)c1ccccc1)cccc4.O=N(=O)[O-].O.O=N(=O)[O-] |
| Title of publication | A discrete Cu cluster and a 3D Mn(II)-Cu(II) framework based on assembly of Mn2Cu4 clusters: synthesis, structure and magnetic properties. |
| Authors of publication | Chakraborty, Anindita; Escuer, Albert; Ribas, Joan; Maji, Tapas Kumar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 39 |
| Pages of publication | 15523 - 15531 |
| a | 13.8873 ± 0.0002 Å |
| b | 16.1982 ± 0.0003 Å |
| c | 17.541 ± 0.0003 Å |
| α | 90.499 ± 0.001° |
| β | 108.881 ± 0.001° |
| γ | 94.53 ± 0.001° |
| Cell volume | 3719.4 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192220 (current) | 2017-02-17 | cif/7 Fixing Z values and formulae |
7040435.cif |
| 188133 | 2016-11-08 | cif/ Updating files of 7040435, 7040436 Original log message: Adding full bibliography for 7040435--7040436.cif. |
7040435.cif |
| 187094 | 2016-10-08 | cif/ Updating files of 7040435, 7040436 Original log message: Adding full bibliography for 7040435--7040436.cif. |
7040435.cif |
| 185945 | 2016-08-23 | cif/ Adding structures of 7040435, 7040436 via cif-deposit CGI script. |
7040435.cif |
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Users of the data should acknowledge the original authors of the
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