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Information card for entry 7059160
Preview
| Coordinates | 7059160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6 |
|---|---|
| Calculated formula | C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6 |
| SMILES | c1cccc2c3cccc[n]3[Co]34([n]12)([OH]C)Oc1c(C=[N]4C(P24=[O][Gd]5678([OH]C)Oc9c(C=[N]8C(C)(C)P8(O[Gd]%10%11%12%13%14[O](C)[Na]%15([OH]C)([OH]C)([OH]C)[O]%16[Co]%17%18([n]%19ccccc%19c%19[n]%17cccc%19)([OH]C)Oc%17ccc(Br)cc%17C=[N]%18C(P%16(=[O][Gd]%16%17%18([OH]C)(Oc%19c(C=[N]%18C(P(=O)(O[Gd]%18%20%21([O](C)[Na]([OH]C)([OH]C)([OH]C)([O]32)[O]4%18)(Oc2c(C=[N]%21C(P(=O)(O%16)[O]6%20)(C)C)cc(Br)cc2)[O]78)[O]%13%17)(C)C)cc(Br)cc%19)[O]%12P(O5)(C(C)(C)[N]%14=Cc2c(ccc(Br)c2)O%10)=O)[O]%11%15)(C)C)=O)c(Br)ccc9)(C)C)c(Br)ccc1 |
| 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 | 14.8697 ± 0.001 Å |
| b | 15.9498 ± 0.0011 Å |
| c | 30.095 ± 0.003 Å |
| α | 100.792 ± 0.003° |
| β | 96.032 ± 0.003° |
| γ | 105.193 ± 0.002° |
| Cell volume | 6676.2 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7059160.cif |
| 247790 | 2020-02-04 | cif/ Updating files of 7059159, 7059160, 7059161 Original log message: Adding full bibliography for 7059159--7059161.cif. |
7059160.cif |
| 244799 | 2019-11-29 | cif/ Adding structures of 7059159, 7059160, 7059161 via cif-deposit CGI script. |
7059160.cif |
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Users of the data should acknowledge the original authors of the
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