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Information card for entry 7062105
Preview
| Coordinates | 7062105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H59 N9 O10 Zn2 |
|---|---|
| Calculated formula | C72 H59 N9 O10 Zn2 |
| SMILES | [Zn]12(OC(=O)c3[n]1c1ccccc1cc3)(OC(=O)c1[n]2c2ccccc2cc1)[NH]=C(N1CCCC1)c1ccccc1.[Zn]123(OC(=O)c4[n]1c1ccccc1cc4)(OC(=O)c1[n]2c2ccccc2cc1)OC(=O)c1[n]3c2ccccc2cc1.NC(=[N+]1CCCC1)c1ccccc1 |
| Title of publication | Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile |
| Authors of publication | Podjed, Nina; Modec, Barbara |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 48 |
| Pages of publication | 23225 - 23238 |
| a | 9.8931 ± 0.0003 Å |
| b | 17.7112 ± 0.0006 Å |
| c | 19.4839 ± 0.0006 Å |
| α | 107.957 ± 0.003° |
| β | 98.357 ± 0.003° |
| γ | 93.583 ± 0.003° |
| Cell volume | 3192.21 ± 0.19 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1039 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280205 (current) | 2023-01-06 | cif/ Updating files of 7062097, 7062098, 7062099, 7062100, 7062101, 7062102, 7062103, 7062104, 7062105, 7062106, 7062107, 7062108, 7062109 Original log message: Adding full bibliography for 7062097--7062109.cif. |
7062105.cif |
| 279577 | 2022-11-26 | cif/ Adding structures of 7062097, 7062098, 7062099, 7062100, 7062101, 7062102, 7062103, 7062104, 7062105, 7062106, 7062107, 7062108, 7062109 via cif-deposit CGI script. |
7062105.cif |
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Users of the data should acknowledge the original authors of the
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