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Information card for entry 7059161
Preview
| Coordinates | 7059161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H112 Co2 Gd4 N10 Na2 O35 P6 |
|---|---|
| Calculated formula | C110 H112 Co2 Gd4 N10 Na2 O35 P6 |
| SMILES | [Co]123([OH]C)([n]4ccccc4c4[n]1cccc4)[O]=P1(O[Gd]4567([OH]C)[O]8[Gd]9%10%11%12([OH]C)[O]6P(=O)(O[Gd]6%13%14%15([OH]C)[O]([Gd]%16%17([OH]C)(OP8(=O)C([N]4=Cc4c8ccccc8ccc4O5)(C)C)([O]%14P(=O)(O7)C([N]%17=Cc4c5ccccc5ccc4O%16)(C)C)[O]=P4(O%15)[O]5[Co]78([O]([Na]5([OH2])[OH2])C)([n]5ccccc5c5[n]7cccc5)Oc5c(C=[N]8C4(C)C)c4ccccc4cc5)P(=O)(O%11)C([N]%13=Cc4c5ccccc5ccc4O6)(C)C)C([N]%10=Cc4c5ccccc5ccc4[O]9[Na]([OH2])([OH2])[O]1%12)(C)C)C([N]3=Cc1c3ccccc3ccc1O2)(C)C.O |
| Title of publication | Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family |
| Authors of publication | Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 513 - 521 |
| a | 15.3491 ± 0.001 Å |
| b | 16.5332 ± 0.0011 Å |
| c | 31.308 ± 0.002 Å |
| α | 75.688 ± 0.002° |
| β | 89.7027 ± 0.0015° |
| γ | 72.824 ± 0.002° |
| Cell volume | 7335.3 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257753 (current) | 2020-10-06 | cif/ Updating files of 7059159, 7059160, 7059161 Original log message: Adding full bibliography for 7059159--7059161.cif. |
7059161.cif |
| 247790 | 2020-02-04 | cif/ Updating files of 7059159, 7059160, 7059161 Original log message: Adding full bibliography for 7059159--7059161.cif. |
7059161.cif |
| 244799 | 2019-11-29 | cif/ Adding structures of 7059159, 7059160, 7059161 via cif-deposit CGI script. |
7059161.cif |
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