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Information card for entry 7703152
Preview
| Coordinates | 7703152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H40 Cu5 Fe2 N22 Na O22 Sm |
|---|---|
| Calculated formula | C20 H40 Cu5 Fe2 N22 Na O22 Sm |
| SMILES | C1C2=[O][Cu]34([N]#C[Fe](C#N)(C#N)(N=O)(C#N)C#N)[NH2]CC5=[O][Cu]67[NH2]CC8=[O][Cu]9%10([NH2]CC%11=[O][Cu]%12%13[NH2]CC%14=[O][Cu]%15([NH2]1)[N]2=[O]3[Sm]([O]%15=[N]%12%14)([O]%13=[N]9%11)([O]%10=[N]68)([O]7=[N]45)([OH2])([OH2])[OH2])[N]#C[Fe](C#N)(C#N)(N=O)(C#N)C#N.O.O.O.O.O.[Na+].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 | 16.9804 ± 0.0007 Å |
| b | 14.2037 ± 0.0005 Å |
| c | 20.7567 ± 0.001 Å |
| α | 90° |
| β | 93.464 ± 0.004° |
| γ | 90° |
| Cell volume | 4997 ± 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 | 0.0927 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
7703152.cif |
| 246462 | 2020-01-03 | cif/ Adding structures of 7703149, 7703150, 7703151, 7703152, 7703153, 7703154, 7703155, 7703156 via cif-deposit CGI script. |
7703152.cif |
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