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Information card for entry 7703155
Preview
| Coordinates | 7703155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H40 Cu5 Fe2 N22 Na O22 Tb |
|---|---|
| Calculated formula | C20 H40 Cu5 Fe2 N22 Na O22 Tb |
| SMILES | C1C2=[O][Cu]34([NH2]CC5=[O][Cu]67[N]8=[O]9[Cu]%10([N]%11=[O]%12[Cu]%13([NH2]CC%14=[O][Cu]%15([NH2]1)[N]2=[O]3[Tb]9%12([O]%15=[N]%13%14)([O]7=[N]45)([OH2])([OH2])[OH2])[O]=C%11C[NH2]%10)([N]#C[Fe](C#N)(C#N)(C#N)(C#N)N=O)[O]=C8C[NH2]6)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)N=O.[Na+].O.O.O.O.O.O.O |
| Title of publication | Investigating the effect of lanthanide radius and diamagnetic linkers on the framework of metallacrown complexes. |
| Authors of publication | Yang, Hua; Meng, Yan-Xia; Tian, Hai-Quan; Li, Da-Cheng; Zeng, Su-Yuan; Song, You; Dou, Jian-Min |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 6 |
| Pages of publication | 1955 - 1962 |
| a | 17.0246 ± 0.0007 Å |
| b | 14.1494 ± 0.0007 Å |
| c | 20.7518 ± 0.0008 Å |
| α | 90° |
| β | 93.332 ± 0.003° |
| γ | 90° |
| Cell volume | 4990.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1874 |
| Weighted residual factors for all reflections included in the refinement | 0.2118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248957 (current) | 2020-03-05 | cif/ Updating files of 7703149, 7703150, 7703151, 7703152, 7703153, 7703154, 7703155, 7703156 Original log message: Adding full bibliography for 7703149--7703156.cif. |
7703155.cif |
| 246462 | 2020-01-03 | cif/ Adding structures of 7703149, 7703150, 7703151, 7703152, 7703153, 7703154, 7703155, 7703156 via cif-deposit CGI script. |
7703155.cif |
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