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Information card for entry 7049095
Preview
| Coordinates | 7049095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H72 B2 Cl16 Mg O6 |
|---|---|
| Calculated formula | C72 H72 B2 Cl16 Mg O6 |
| SMILES | C1CCC[O]1[Mg]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.c1(cc(cc(c1)Cl)Cl)[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl.c1(cc(cc(c1)Cl)Cl)[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl |
| Title of publication | Amidomagnesium cations. |
| Authors of publication | Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 21 |
| Pages of publication | 7313 - 7319 |
| a | 12.507 ± 0.002 Å |
| b | 12.918 ± 0.002 Å |
| c | 13.134 ± 0.002 Å |
| α | 102.231 ± 0.007° |
| β | 105.328 ± 0.007° |
| γ | 103.876 ± 0.007° |
| Cell volume | 1899 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0966 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1469 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| 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. |
7049095.cif |
| 224444 | 2019-11-08 | cif/ Updating files of 7049090, 7049091, 7049092, 7049093, 7049094, 7049095, 7049096 Original log message: Adding full bibliography for 7049090--7049096.cif. |
7049095.cif |
| 213773 | 2019-02-22 | cif/ Adding structures of 7049090, 7049091, 7049092, 7049093, 7049094, 7049095, 7049096 via cif-deposit CGI script. |
7049095.cif |
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Users of the data should acknowledge the original authors of the
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