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Information card for entry 7055624
Preview
| Coordinates | 7055624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H54 N10 Ni2 O30 Tb2 |
|---|---|
| Calculated formula | C50 H54 N10 Ni2 O30 Tb2 |
| SMILES | C[O]1c2cccc3c2[O]2[Ni]456([N](OCCO[N]6=C3)=Cc3c6[O]4[Tb]4712([O](c6ccc3)C)(OC(=[O]5)c1ccc(C2=[O][Ni]356([N]8=Cc9cccc%10c9[O]5[Tb]59%11([O]%10C)([O]6c6c(C=[N]3OCCO8)cccc6[O]5C)(O2)(ON(=[O]9)=O)ON(=[O]%11)=O)[O]=CN(C)C)cc1)(ON(=[O]4)=O)ON(=[O]7)=O)[O]=CN(C)C |
| Title of publication | Nine self-assembled nickel(ii)–lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties |
| Authors of publication | Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 8 |
| Pages of publication | 6998 |
| a | 10.5724 ± 0.0008 Å |
| b | 12.5483 ± 0.0012 Å |
| c | 13.8671 ± 0.0007 Å |
| α | 99.027 ± 0.006° |
| β | 95.068 ± 0.005° |
| γ | 101.985 ± 0.007° |
| Cell volume | 1763.3 ± 0.2 Å3 |
| Cell temperature | 296.71 ± 0.1 K |
| Ambient diffraction temperature | 296.71 ± 0.1 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7055624.cif |
| 185618 | 2016-08-07 | cif/ Updating files of 7055617, 7055618, 7055619, 7055620, 7055621, 7055622, 7055623, 7055624, 7055625 Original log message: Adding full bibliography for 7055617--7055625.cif. |
7055624.cif |
| 183408 | 2016-06-11 | cif/ Adding structures of 7055617, 7055618, 7055619, 7055620, 7055621, 7055622, 7055623, 7055624, 7055625 via cif-deposit CGI script. |
7055624.cif |
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Users of the data should acknowledge the original authors of the
structural data.