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Information card for entry 4344989
Preview
| Coordinates | 4344989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H26 N5 Nd O13 |
|---|---|
| Calculated formula | C12 H26 N5 Nd O13 |
| SMILES | [Nd]12345678(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)[NH]1CC[O]5CC[O]6CC[NH]4CC[O]7CC[O]8CC1 |
| Title of publication | Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors. |
| Authors of publication | Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 147 - 155 |
| a | 8.8362 ± 0.0013 Å |
| b | 10.237 ± 0.0017 Å |
| c | 12.638 ± 0.002 Å |
| α | 83.993 ± 0.007° |
| β | 76.239 ± 0.006° |
| γ | 66.958 ± 0.006° |
| Cell volume | 1021.7 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4344989.cif |
| 191351 | 2017-02-04 | cif/ Updating files of 4344984, 4344985, 4344986, 4344987, 4344988, 4344989 Original log message: Adding full bibliography for 4344984--4344989.cif. |
4344989.cif |
| 189563 | 2017-01-01 | cif/ Adding structures of 4344984, 4344985, 4344986, 4344987, 4344988, 4344989 via cif-deposit CGI script. |
4344989.cif |
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Users of the data should acknowledge the original authors of the
structural data.