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Information card for entry 7220376
Preview
| Coordinates | 7220376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42.75 H46.5 Cl3.5 Cu N16 O7.5 |
|---|---|
| Calculated formula | C42.75 H46.5 Cl3.5 Cu N16 O7.5 |
| Title of publication | Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework |
| Authors of publication | Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 4102 |
| a | 16.527 ± 0.011 Å |
| b | 20.962 ± 0.014 Å |
| c | 16.969 ± 0.012 Å |
| α | 90° |
| β | 106.983 ± 0.01° |
| γ | 90° |
| Cell volume | 5622 ± 7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1348 |
| Residual factor for significantly intense reflections | 0.0932 |
| Weighted residual factors for significantly intense reflections | 0.2646 |
| Weighted residual factors for all reflections included in the refinement | 0.302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220376.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220376.cif |
| 138520 | 2015-06-07 | cif/ Updating files of 7220376 Original log message: Adding full bibliography for 7220376.cif. |
7220376.cif |
| 135841 | 2015-05-09 | cif/ Adding structures of 7220376 via cif-deposit CGI script. |
7220376.cif |
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Users of the data should acknowledge the original authors of the
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