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Information card for entry 7240523
Preview
| Coordinates | 7240523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H35 N5 O7 Zn |
|---|---|
| Calculated formula | C31 H35 N5 O7 Zn |
| SMILES | [Zn]12(OC(=O)c3[n]1c1c(cc3)cccc1)(OC(=O)c1[n]2c2c(cc1)cccc2)OC(=O)C.[N+]1(CCCCC1)=C(N)C.O=C(N)C |
| Title of publication | From cyclic amines and acetonitrile to amidine zinc(ii) complexes |
| Authors of publication | Podjed, Nina; Modec, Barbara; Alcaide, María M.; López-Serrano, Joaquín |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 31 |
| Pages of publication | 18200 - 18221 |
| a | 14.337 ± 0.0004 Å |
| b | 8.5075 ± 0.0002 Å |
| c | 25.4808 ± 0.0008 Å |
| α | 90° |
| β | 102.665 ± 0.003° |
| γ | 90° |
| Cell volume | 3032.32 ± 0.15 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0403 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240523.cif |
| 258103 | 2020-10-06 | cif/ Updating files of 7240517, 7240518, 7240519, 7240520, 7240521, 7240522, 7240523, 7240524, 7240525, 7240526, 7240527, 7240528, 7240529, 7240530, 7240531, 7240532, 7240533 Original log message: Adding full bibliography for 7240517--7240533.cif. |
7240523.cif |
| 252047 | 2020-05-14 | cif/ Adding structures of 7240517, 7240518, 7240519, 7240520, 7240521, 7240522, 7240523, 7240524, 7240525, 7240526, 7240527, 7240528, 7240529, 7240530, 7240531, 7240532, 7240533 via cif-deposit CGI script. |
7240523.cif |
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Users of the data should acknowledge the original authors of the
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