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Information card for entry 7220568
Preview
| Coordinates | 7220568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H25.5 Cd2 Cl N9.5 O8.5 |
|---|---|
| Calculated formula | C27 H18 Cd2 Cl N9 O6 |
| Title of publication | A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties |
| Authors of publication | Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 26 |
| Pages of publication | 4787 |
| a | 25.786 ± 0.005 Å |
| b | 21.045 ± 0.004 Å |
| c | 7.4123 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4022.4 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7220568.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. |
7220568.cif |
| 143381 | 2015-07-10 | cif/ Updating files of 7220568 Original log message: Adding full bibliography for 7220568.cif. |
7220568.cif |
| 137456 | 2015-05-28 | cif/ Adding structures of 7220568 via cif-deposit CGI script. |
7220568.cif |
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Users of the data should acknowledge the original authors of the
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