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Information card for entry 7214376
Preview
| Coordinates | 7214376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H44 Br4 N4 O8 |
|---|---|
| Calculated formula | C24 H43 Br4 N4 O8 |
| SMILES | [Br-].[Br-].[Br-].[Br-].[NH3+]c1ccc(cc1)OCC[NH+](CCOc1ccc([NH3+])cc1)CCOc1ccc([NH3+])cc1.O.O.O.O.O |
| 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 | 12.6464 ± 0.0004 Å |
| b | 11.5355 ± 0.0004 Å |
| c | 24.2735 ± 0.0008 Å |
| α | 90° |
| β | 104.935 ± 0.002° |
| γ | 90° |
| Cell volume | 3421.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180474 (current) | 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. |
7214376.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. |
7214376.cif |
| 109492 | 2014-04-15 | cif/ Adding structures of 7214372, 7214373, 7214374, 7214375, 7214376, 7214377 via cif-deposit CGI script. |
7214376.cif |
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Users of the data should acknowledge the original authors of the
structural data.