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Information card for entry 7042435
Preview
| Coordinates | 7042435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H32 Cl2 Mg N4 |
|---|---|
| Calculated formula | C12 H32 Cl2 Mg N4 |
| SMILES | [Mg]12([NH](CC)CC[NH]1CC)([NH](CC)CC[NH]2CC)(Cl)Cl |
| Title of publication | Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts. |
| Authors of publication | Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 13 |
| Pages of publication | 4452 - 4460 |
| a | 6.7256 ± 0.0004 Å |
| b | 7.9186 ± 0.0005 Å |
| c | 8.2724 ± 0.0005 Å |
| α | 84.028 ± 0.002° |
| β | 84.044 ± 0.001° |
| γ | 84.459 ± 0.001° |
| Cell volume | 434.17 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0249 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0587 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7042435.cif |
| 195074 | 2017-04-05 | cif/ Updating files of 7042435, 7042436, 7042437 Original log message: Adding full bibliography for 7042435--7042437.cif. |
7042435.cif |
| 194180 | 2017-03-11 | cif/ Adding structures of 7042435, 7042436, 7042437 via cif-deposit CGI script. |
7042435.cif |
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Users of the data should acknowledge the original authors of the
structural data.