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Information card for entry 1508204
Preview
| Coordinates | 1508204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C43 H65 N O14 |
|---|---|
| Calculated formula | C43 H65 N O14 |
| SMILES | O=C(OCC)c1cc(cc(c1)CNc1cc(cc(c1)C(=O)OCC)C(=O)OCC)C(=O)OCC.O1CCOCCOCCOCCOCCOCCCCCCCC1 |
| Title of publication | Metal-organic frameworks with dynamic interlocked components. |
| Authors of publication | Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J. |
| Journal of publication | Nature chemistry |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 456 - 460 |
| a | 10.569 ± 0.002 Å |
| b | 14.846 ± 0.003 Å |
| c | 15.667 ± 0.003 Å |
| α | 79.505 ± 0.002° |
| β | 77.528 ± 0.002° |
| γ | 72.252 ± 0.002° |
| Cell volume | 2268.1 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1234 |
| Residual factor for significantly intense reflections | 0.1 |
| Weighted residual factors for significantly intense reflections | 0.2881 |
| Weighted residual factors for all reflections included in the refinement | 0.3162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1508204.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508204.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508204.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508204.cif |
| 62750 | 2012-07-09 | cif/ Adding structures of 1508204 via cif-deposit CGI script. |
1508204.cif |
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Users of the data should acknowledge the original authors of the
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