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Information card for entry 7240521
Preview
| Coordinates | 7240521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 N5 O6 Zn |
|---|---|
| Calculated formula | C37 H33 N5 O6 Zn |
| SMILES | [Zn]12(OC(=O)c3[n]1c1c(cc3)cccc1)(OC(=O)c1nc3c(cc1)cccc3)OC(=O)c1[n]2c2c(cc1)cccc2.[N+]1(CCCCC1)=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 | 9.5111 ± 0.0002 Å |
| b | 12.6993 ± 0.0003 Å |
| c | 13.6361 ± 0.0003 Å |
| α | 88.709 ± 0.002° |
| β | 88.368 ± 0.002° |
| γ | 82.441 ± 0.002° |
| Cell volume | 1631.76 ± 0.06 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 258103 (current) | 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. |
7240521.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. |
7240521.cif |
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