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Information card for entry 7056757
Preview
| Coordinates | 7056757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H54 B4 Cl3 Fe2 N12 O12 S9 |
|---|---|
| Calculated formula | C37 H54 B4 Cl3 Fe2 N12 O12 S9 |
| Title of publication | The molecular design of cage metal complexes for biological applications: pathways of the synthesis, and X-ray structures of a series of new N2-, S2- and O2-alicyclic iron(ii) di- and tetrachloroclathrochelates |
| Authors of publication | Zelinskii, Genrikh E.; Belov, Alexander S.; Belaya, Irina G.; Vologzhanina, Anna V.; Novikov, Valentin V.; Varzatskii, Oleg A.; Voloshin, Yan Z. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 1 |
| Pages of publication | 56 |
| a | 14.486 ± 0.0004 Å |
| b | 15.3721 ± 0.0003 Å |
| c | 15.7873 ± 0.0004 Å |
| α | 117.417 ± 0.001° |
| β | 99.084 ± 0.002° |
| γ | 107.035 ± 0.001° |
| Cell volume | 2800.59 ± 0.13 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056757.cif |
| 230225 | 2019-11-17 | cif/ Updating files of 7056755, 7056756, 7056757 Original log message: Adding full bibliography for 7056755--7056757.cif. |
7056757.cif |
| 203672 | 2017-11-28 | cif/ Adding structures of 7056755, 7056756, 7056757 via cif-deposit CGI script. |
7056757.cif |
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Users of the data should acknowledge the original authors of the
structural data.