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Information card for entry 7214377
Preview
| Coordinates | 7214377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H37.5 I4 N4 O4.75 |
|---|---|
| Calculated formula | C24 H36 I4 N4 O4.75 |
| SMILES | [I-].[I-].[I-].[I-].[NH+](CCOc1ccc([NH3+])cc1)(CCOc1ccc([NH3+])cc1)CCOc1ccc([NH3+])cc1.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 | 12.6814 ± 0.0006 Å |
| b | 13.0383 ± 0.0006 Å |
| c | 20.9938 ± 0.001 Å |
| α | 75.377 ± 0.002° |
| β | 87.245 ± 0.002° |
| γ | 88.453 ± 0.002° |
| Cell volume | 3354.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0965 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.1946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208944 (current) | 2018-07-10 | Fixing several Z values and formula |
7214377.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. |
7214377.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. |
7214377.cif |
| 109492 | 2014-04-15 | cif/ Adding structures of 7214372, 7214373, 7214374, 7214375, 7214376, 7214377 via cif-deposit CGI script. |
7214377.cif |
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Users of the data should acknowledge the original authors of the
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