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Information card for entry 1518252
Preview
| Coordinates | 1518252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H28 B2 Cl6 Fe N8 O6 |
|---|---|
| Calculated formula | C24 H28 B2 Cl6 Fe N8 O6 |
| Title of publication | Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups |
| Authors of publication | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 1004 |
| a | 24.287 ± 0.003 Å |
| b | 8.1945 ± 0.0005 Å |
| c | 20.396 ± 0.0018 Å |
| α | 90° |
| β | 120.269 ± 0.013° |
| γ | 90° |
| Cell volume | 3505.8 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0735 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.796 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518252.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518252.cif |
| 130956 | 2015-02-04 | cif/ Updating files of 1518252, 1518253, 1518254, 1518255, 1518256, 1518257 Original log message: Adding full bibliography for 1518252--1518257.cif. |
1518252.cif |
| 127039 | 2014-11-12 | cif/ Adding structures of 1518252, 1518253, 1518254, 1518255, 1518256, 1518257 via cif-deposit CGI script. |
1518252.cif |
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Users of the data should acknowledge the original authors of the
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