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Information card for entry 7036495
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| Coordinates | 7036495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H42 Br2 N4 O12 Zn3 |
|---|---|
| Calculated formula | C40 H42 Br2 N4 O12 Zn3 |
| Title of publication | Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks. |
| Authors of publication | Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 41 |
| Pages of publication | 17980 - 17989 |
| a | 13.1135 ± 0.0014 Å |
| b | 9.7503 ± 0.0006 Å |
| c | 18.2437 ± 0.0018 Å |
| α | 90° |
| β | 110.202 ± 0.012° |
| γ | 90° |
| Cell volume | 2189.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| 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 |
|---|---|---|---|
| 176428 (current) | 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. |
7036495.cif |
| 171193 | 2015-12-09 | cif/ Updating files of 7036490, 7036491, 7036492, 7036493, 7036494, 7036495, 7036496, 7036497, 7036498, 7036499, 7036500 Original log message: Adding full bibliography for 7036490--7036500.cif. |
7036495.cif |
| 155883 | 2015-09-12 | cif/ Adding structures of 7036490, 7036491, 7036492, 7036493, 7036494, 7036495, 7036496, 7036497, 7036498, 7036499, 7036500 via cif-deposit CGI script. |
7036495.cif |
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Users of the data should acknowledge the original authors of the
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