Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4348937
Preview
| Coordinates | 4348937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73.22 H117.22 Dy Mn4 N12.41 Na O31.59 |
|---|---|
| Calculated formula | C73.224 H117.224 Dy Mn4 N12.408 Na O31.592 |
| SMILES | [OH2]1[Mn]2345[O]67[Dy]89%10%11%12([O]%13%14[Mn]%15%16([O](=CN(C)C)[Na]%17%18%1916%13[O]18[Mn]6(OC(=[N]%161)c1c(O%15)cccc1)(Oc1c(C8O[Mn]%13(Oc%15c(C(O2)=[N]7%13)cccc%15)([O]9%17[N]6=8)([O]=C(O%12)C(C)(C)C)[OH2]%19)cccc1)([O]=C(O%11)C(C)(C)C)[OH2]%18)(OC(=[N]5%14)c1c(O3)cccc1)[O]=C(O%10)C(C)(C)C)OC(=[O]4)C(C)(C)C.O.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C |
| Title of publication | The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes. |
| Authors of publication | Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 20 |
| Pages of publication | 10597 - 10607 |
| a | 19.124 ± 0.0012 Å |
| b | 18.9136 ± 0.0011 Å |
| c | 26.0448 ± 0.0017 Å |
| α | 90° |
| β | 99.528 ± 0.004° |
| γ | 90° |
| Cell volume | 9290.5 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0854 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233497 (current) | 2019-11-23 | cif/ Adding structures of 4348933, 4348934, 4348935, 4348936, 4348937 via cif-deposit CGI script. |
4348937.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.