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Information card for entry 1571071
Preview
| Coordinates | 1571071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H86 Fe2 K2 N6 O14 Sn9 |
|---|---|
| Calculated formula | C42 H86 Fe2 K2 N6 O14 Sn9 |
| Title of publication | Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb). |
| Authors of publication | Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 13 |
| Pages of publication | 4981 - 4988 |
| a | 15.7369 ± 0.0002 Å |
| b | 15.9735 ± 0.0003 Å |
| c | 16.6129 ± 0.0002 Å |
| α | 107.761 ± 0.0014° |
| β | 97.0389 ± 0.0012° |
| γ | 112.88 ± 0.0015° |
| Cell volume | 3522.99 ± 0.11 Å3 |
| Cell temperature | 129.99 ± 0.1 K |
| Ambient diffraction temperature | 129.99 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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 |
|---|---|---|---|
| 290847 (current) | 2024-04-05 | cif/ Updating files of 1571069, 1571070, 1571071 Original log message: Adding full bibliography for 1571069--1571071.cif. |
1571071.cif |
| 289997 | 2024-02-29 | cif/ Adding structures of 1571069, 1571070, 1571071 via cif-deposit CGI script. |
1571071.cif |
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Users of the data should acknowledge the original authors of the
structural data.