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Information card for entry 7055623
Preview
| Coordinates | 7055623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H62 Gd2 N10 Ni2 O32 |
|---|---|
| Calculated formula | C52 H62 Gd2 N10 Ni2 O32 |
| SMILES | c12cccc3c1[O]1[Gd]4567([O]2C)([O]2c8c(C=[N]9OCCO[N](=C3)[Ni]129([O]=C(O5)c1ccc(C2=[O][Ni]359([N]%10=Cc%11cccc%12c%11[O]5[Gd]5%11%13([O]%12C)([O]9c9c(C=[N]3OCCO%10)cccc9[O]5C)(O2)([O]=CN(C)C)(ON(=[O]%11)=O)ON(=[O]%13)=O)[OH]C)cc1)[OH]C)cccc8[O]4C)([O]=CN(C)C)(ON(=[O]6)=O)ON(=[O]7)=O |
| 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 | 15.1274 ± 0.0007 Å |
| b | 12.9696 ± 0.0007 Å |
| c | 17.1643 ± 0.0008 Å |
| α | 90° |
| β | 97.274 ± 0.004° |
| γ | 90° |
| Cell volume | 3340.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7055623.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. |
7055623.cif |
| 183408 | 2016-06-11 | cif/ Adding structures of 7055617, 7055618, 7055619, 7055620, 7055621, 7055622, 7055623, 7055624, 7055625 via cif-deposit CGI script. |
7055623.cif |
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Users of the data should acknowledge the original authors of the
structural data.