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Information card for entry 7214374
Preview
| Coordinates | 7214374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H34 Cl4 N4 O3 |
|---|---|
| Calculated formula | C24 H34 Cl4 N4 O3 |
| SMILES | C(COc1ccc(cc1)[NH3+])[NH+](CCOc1ccc(cc1)[NH3+])CCOc1ccc(cc1)[NH3+].[Cl-].[Cl-].[Cl-].[Cl-] |
| Title of publication | Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide–water [Br5–(H2O)6]5− and iodide–water [I2–(H2O)4]2− clusters in cationic tripodal receptor |
| Authors of publication | Hoque, Md. Najbul; Das, Gopal |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 4447 |
| a | 12.7399 ± 0.0008 Å |
| b | 12.7399 ± 0.0008 Å |
| c | 62.039 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8720.2 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214374.cif |
| 180474 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/43. |
7214374.cif |
| 116184 | 2014-06-07 | cif/ Updating files of 7214372, 7214373, 7214374, 7214375, 7214376, 7214377 Original log message: Adding full bibliography for 7214372--7214377.cif. |
7214374.cif |
| 109492 | 2014-04-15 | cif/ Adding structures of 7214372, 7214373, 7214374, 7214375, 7214376, 7214377 via cif-deposit CGI script. |
7214374.cif |
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Users of the data should acknowledge the original authors of the
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