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Information card for entry 4513687
Preview
| Coordinates | 4513687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H41.5 N11.5 O15 Zn5 |
|---|---|
| Calculated formula | C39 H41.5 N11.5 O15 Zn5 |
| Title of publication | A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation |
| Authors of publication | Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 5794 |
| a | 15.4115 ± 0.0016 Å |
| b | 19.185 ± 0.002 Å |
| c | 25.471 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7531 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0753 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1889 |
| Weighted residual factors for all reflections included in the refinement | 0.2102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| 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. |
4513687.cif |
| 170783 | 2015-12-06 | cif/ Updating files of 4513682, 4513683, 4513684, 4513685, 4513686, 4513687, 4513688 Original log message: Adding full bibliography for 4513682--4513688.cif. |
4513687.cif |
| 170023 | 2015-11-06 | cif/ Adding structures of 4513682, 4513683, 4513684, 4513685, 4513686, 4513687, 4513688 via cif-deposit CGI script. |
4513687.cif |
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Users of the data should acknowledge the original authors of the
structural data.