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Information card for entry 4345069
Preview
| Coordinates | 4345069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H106 Fe4 N16 O24 Tb2 |
|---|---|
| Calculated formula | C54 H106 Fe4 N16 O24 Tb2 |
| 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 | 12.4023 ± 0.0013 Å |
| b | 13.4737 ± 0.0013 Å |
| c | 13.6951 ± 0.0015 Å |
| α | 115.683 ± 0.01° |
| β | 101.128 ± 0.009° |
| γ | 99.194 ± 0.008° |
| Cell volume | 1945.5 ± 0.4 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 | 0.1256 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
4345069.cif |
| 193431 | 2017-03-04 | cif/ Updating files of 4345065, 4345066, 4345067, 4345068, 4345069, 4345070, 4345071, 4345072 Original log message: Adding full bibliography for 4345065--4345072.cif. |
4345069.cif |
| 191116 | 2017-01-31 | cif/ Adding structures of 4345069 via cif-deposit CGI script. |
4345069.cif |
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Users of the data should acknowledge the original authors of the
structural data.