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Information card for entry 8107478
Preview
| Coordinates | 8107478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H29 Br3 N2 O14 Zn2 |
|---|---|
| Calculated formula | C37 H29 Br3 N2 O14 Zn2 |
| Title of publication | The crystal structure of poly[diaqua-bis(μ 3-5-bromobenzene-1,3-dicarboxylato-κ 3 O,O,O′)-(μ 2-1,3-bis-(4-pyridyl)-propane-κ 2 N,N′)-dizinc(II))] – 5-bromobenzene-1,3-dicarboxylic acid [2/1], C37H29Br3N2O14Zn2 |
| Authors of publication | Shi, Xiao-Ming; Fu, Yu-Jia |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 499 - 501 |
| a | 8.2047 ± 0.0006 Å |
| b | 28.6129 ± 0.0013 Å |
| c | 8.8721 ± 0.0007 Å |
| α | 90° |
| β | 112.069 ± 0.009° |
| γ | 90° |
| Cell volume | 1930.2 ± 0.3 Å3 |
| Cell temperature | 199.99 ± 0.1 K |
| Ambient diffraction temperature | 199.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285237 (current) | 2023-07-17 | cif/ Adding structures of 8107478 via cif-deposit CGI script. |
8107478.cif |
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Users of the data should acknowledge the original authors of the
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