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Information card for entry 7224077
Preview
| Coordinates | 7224077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H68 N6 Nd2 Ni2 O38 |
|---|---|
| Calculated formula | C28 H68 N6 Nd2 Ni2 O38 |
| SMILES | N1(=[O][Nd]23([O]=C4C[N]56[C@@H]7[C@H](CCCC7)[N]78CC(=O)O[Ni]68(OC(=O)C7)([O]24)[O]=C(C5)O[Nd]24([O]=C5C[N]67[C@H]8[C@@H](CCCC8)[N]89CC(=O)O[Ni]79(OC(=O)C8)([O]25)[O]=C(C6)O3)([OH2])([OH2])([OH2])([OH2])ON(=[O]4)=O)([OH2])([OH2])(O1)([OH2])[OH2])=O.O.O.O.O.O.O.O.O |
| Title of publication | Anion-controlled assembly of a series of heterometallic 3d–4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks |
| Authors of publication | Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 4142 |
| a | 9.2011 ± 0.0018 Å |
| b | 12.234 ± 0.002 Å |
| c | 12.51 ± 0.003 Å |
| α | 85.62 ± 0.03° |
| β | 80.05 ± 0.03° |
| γ | 68.91 ± 0.03° |
| Cell volume | 1294 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.0259 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224077.cif |
| 185171 | 2016-08-07 | cif/ Updating files of 7224073, 7224074, 7224075, 7224076, 7224077, 7224078, 7224079 Original log message: Adding full bibliography for 7224073--7224079.cif. |
7224077.cif |
| 175391 | 2016-02-02 | cif/ Adding structures of 7224073, 7224074, 7224075, 7224076, 7224077, 7224078, 7224079 via cif-deposit CGI script. |
7224077.cif |
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Users of the data should acknowledge the original authors of the
structural data.