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Information card for entry 1571433
Preview
| Coordinates | 1571433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H50 Cl4 Mg N6 O6 |
|---|---|
| Calculated formula | C44 H50 Cl4 Mg N6 O6 |
| SMILES | C(=O)(Cc1c(cccc1)Nc1c(cccc1Cl)Cl)O[Mg](OC(=O)Cc1c(cccc1)Nc1c(cccc1Cl)Cl)([OH]CC)([OH]CC)[n]1cn(cc1)CCCCCCn2c[n](cc2)[Mg](OC(=O)Cc1c(cccc1)Nc1c(cccc1Cl)Cl)(OC(=O)Cc1c(cccc1)Nc1c(cccc1Cl)Cl)([OH]CC)([OH]CC)[n]1cn(cc1)CCCCCCn2cncc2 |
| Title of publication | Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions. |
| Authors of publication | Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 19 |
| Pages of publication | 7041 - 7050 |
| a | 8.5036 ± 0.0001 Å |
| b | 21.7792 ± 0.0003 Å |
| c | 12.8123 ± 0.0002 Å |
| α | 90° |
| β | 108.489 ± 0.002° |
| γ | 90° |
| Cell volume | 2250.38 ± 0.06 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292886 (current) | 2024-07-05 | cif/ Updating files of 1571426, 1571427, 1571428, 1571429, 1571430, 1571431, 1571432, 1571433, 1571434, 1571435, 1571436 Original log message: Adding full bibliography for 1571426--1571436.cif. |
1571433.cif |
| 291200 | 2024-04-16 | cif/ Adding structures of 1571426, 1571427, 1571428, 1571429, 1571430, 1571431, 1571432, 1571433, 1571434, 1571435, 1571436 via cif-deposit CGI script. |
1571433.cif |
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Users of the data should acknowledge the original authors of the
structural data.