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Information card for entry 7128168
Preview
| Coordinates | 7128168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H44 B2 O4 Si2 |
|---|---|
| Calculated formula | C28 H44 B2 O4 Si2 |
| Title of publication | The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages. |
| Authors of publication | Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 40 |
| Pages of publication | 4918 - 4921 |
| a | 10.673 ± 0.002 Å |
| b | 10.211 ± 0.002 Å |
| c | 15.278 ± 0.003 Å |
| α | 90° |
| β | 110.38 ± 0.03° |
| γ | 90° |
| Cell volume | 1560.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0845 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128168.cif |
| 265883 | 2021-06-05 | cif/ Updating files of 7128164, 7128165, 7128166, 7128167, 7128168, 7128169 Original log message: Adding full bibliography for 7128164--7128169.cif. |
7128168.cif |
| 264214 | 2021-04-16 | cif/ Adding structures of 7128164, 7128165, 7128166, 7128167, 7128168, 7128169 via cif-deposit CGI script. |
7128168.cif |
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Users of the data should acknowledge the original authors of the
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