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Information card for entry 1520129
Preview
| Coordinates | 1520129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H78 Gd2 N4 Ni2 O26 |
|---|---|
| Calculated formula | C78 H74 Gd2 N4 Ni2 O26 |
| SMILES | [Gd]123456([O](C)c7cccc8c7[O]1[Ni]17([O]2c2c([O]5C)cccc2C=[N]1[N]1[Ni]259([O]%10[Gd]%11%12%13([O](C)c%14cccc(c%10%14)C=[N]9[N]7=C8)([O](C)c9cccc(c9[O]2%13)C=1)([O]=C(O%11)c1ccccc1)(OC(=[O]%12)c1ccccc1)[O]=C(O5)c1ccccc1)[OH]C)([O]=C(O4)c1ccccc1)[OH]C)([O]=C(O6)c1ccccc1)OC(=[O]3)c1ccccc1.OC.O.O.OC |
| Title of publication | Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction. |
| Authors of publication | Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 26 |
| Pages of publication | 11935 - 11942 |
| a | 24.011 ± 0.008 Å |
| b | 16.677 ± 0.006 Å |
| c | 22.589 ± 0.01 Å |
| α | 90° |
| β | 121.27 ± 0.02° |
| γ | 90° |
| Cell volume | 7731 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2001 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.1943 |
| Weighted residual factors for all reflections included in the refinement | 0.2539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 143468 (current) | 2015-07-11 | cif/ Updating files of 1520123, 1520124, 1520125, 1520126, 1520127, 1520128, 1520129, 1520130, 1520131, 1520132, 1520133, 1520134, 1520135, 1520136, 1520137 Original log message: Adding full bibliography for 1520123--1520137.cif. |
1520129.cif |
| 137565 | 2015-05-30 | cif/ Adding structures of 1520123, 1520124, 1520125, 1520126, 1520127, 1520128, 1520129, 1520130, 1520131, 1520132, 1520133, 1520134, 1520135, 1520136, 1520137 via cif-deposit CGI script. |
1520129.cif |
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Users of the data should acknowledge the original authors of the
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