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Information card for entry 7036335
Preview
| Coordinates | 7036335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cl6 N6 Re |
|---|---|
| Calculated formula | C24 H18 Cl6 N6 Re |
| SMILES | c1(c(c2ccccn2)nc(c(n1)c1ccccn1)c1cccc[nH+]1)c1cccc[nH+]1.Cl[Re](Cl)(Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n. |
| Authors of publication | Gryca, I.; Palion-Gazda, J; Machura, B.; Penkala, M.; Kruszyński, R; Cano, J.; Lloret, F.; Julve, M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 39 |
| Pages of publication | 17118 - 17128 |
| a | 9.9017 ± 0.0005 Å |
| b | 14.8558 ± 0.0005 Å |
| c | 9.7532 ± 0.0004 Å |
| α | 90° |
| β | 111.682 ± 0.006° |
| γ | 90° |
| Cell volume | 1333.17 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.0446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036335.cif |
| 161250 | 2015-10-09 | cif/ Updating files of 7036335, 7036336 Original log message: Adding full bibliography for 7036335--7036336.cif. |
7036335.cif |
| 153783 | 2015-08-29 | cif/ Adding structures of 7036335, 7036336 via cif-deposit CGI script. |
7036335.cif |
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Users of the data should acknowledge the original authors of the
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