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Information card for entry 7214559
Preview
| Coordinates | 7214559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C158 H215.2 K4 N40 O66 |
|---|---|
| Calculated formula | C158 H215.2 K4 N40 O66 |
| Title of publication | A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer |
| Authors of publication | Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 9641 |
| a | 15.532 ± 0.0005 Å |
| b | 18.0531 ± 0.0006 Å |
| c | 18.7587 ± 0.0006 Å |
| α | 96.715 ± 0.002° |
| β | 94.667 ± 0.002° |
| γ | 108.814 ± 0.002° |
| Cell volume | 4904.9 ± 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 | 0.178 |
| Residual factor for significantly intense reflections | 0.0883 |
| Weighted residual factors for significantly intense reflections | 0.2153 |
| Weighted residual factors for all reflections included in the refinement | 0.2884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7214559.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7214559.cif |
| 110303 | 2014-04-18 | cif/ Adding structures of 7214558, 7214559 via cif-deposit CGI script. |
7214559.cif |
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Users of the data should acknowledge the original authors of the
structural data.