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Information card for entry 7218333
Preview
| Coordinates | 7218333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H54 Cl0 F48 Gd4 N12 Ni2 O29 |
|---|---|
| Calculated formula | C82 H54 F48 Gd4 N12 Ni2 O29 |
| SMILES | [Gd]12345678[O]9[Gd]%10%11%12%13([O]1[N]1[Ni]%14%15([n]%16ccccc%16C=[N]%14[O]2[Gd]2%14%16%17([O]3[N]3[Ni]%18%19([n]%20ccccc%20C=3)([n]3ccccc3C=[N]%189)[n]3ccccc3C=[N]%19[O]4[Gd]34(OC(C(F)(F)F)=CC(=[O]3)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)([O]6C(=[O]7%10)C)([O]=C(C)[O]8%16)[OH]C)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O%14)OC(C(F)(F)F)=CC(=[O]%17)C(F)(F)F)([n]2ccccc2C=1)[n]1ccccc1C=[N]%15O5)(OC(=CC(=[O]%13)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]%12)C(F)(F)F)OC(=CC(=[O]%11)C(F)(F)F)C(F)(F)F.CO.O |
| Title of publication | Hexanuclear [Ni2Ln4] clusters exhibiting enhanced magnetocaloric effect and slow magnetic relaxation |
| Authors of publication | Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| a | 16.176 ± 0.003 Å |
| b | 25.626 ± 0.005 Å |
| c | 28.494 ± 0.006 Å |
| α | 90° |
| β | 103.74 ± 0.03° |
| γ | 90° |
| Cell volume | 11474 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0869 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180514 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/83. |
7218333.cif |
| 124543 | 2014-10-04 | cif/ Adding structures of 7218333, 7218334 via cif-deposit CGI script. |
7218333.cif |
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Users of the data should acknowledge the original authors of the
structural data.