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Information card for entry 4345363
Preview
| Coordinates | 4345363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H118 Dy2 Fe4 N16 O26 |
|---|---|
| Calculated formula | C58 H118 Dy2 Fe4 N16 O26 |
| Title of publication | Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings. |
| Authors of publication | Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 4 |
| Pages of publication | 1814 - 1822 |
| a | 12.402 ± 0.003 Å |
| b | 13.8712 ± 0.0017 Å |
| c | 14.006 ± 0.0017 Å |
| α | 116.359 ± 0.002° |
| β | 97.806 ± 0.002° |
| γ | 101.11 ± 0.002° |
| Cell volume | 2050.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345363.cif |
| 192931 | 2017-03-04 | cif/ Adding structures of 4345363 via cif-deposit CGI script. |
4345363.cif |
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Users of the data should acknowledge the original authors of the
structural data.