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Information card for entry 7703734
Preview
| Coordinates | 7703734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H65 Gd5 N16 O25 |
|---|---|
| Calculated formula | C74 H65 Gd5 N16 O25 |
| SMILES | [Gd]123456([OH2])[O]7[Gd]89%10%11%12%13[O]%14[Gd]%15%16%17%18%19%20(O[Gd]%21%22([O]=C(O[Gd]%23%24%25([O]=C(C)O%24)(OC(=[O]2)C)(Oc2ccccc2C=[N]%25N=C([O]%19%23)c2[n]%16c%16c%19[n]%18c(ccc%19c%18nccnc%18c%16cc2)C(=N[N]%13=Cc2c(O%11)cccc2)[O]8%15)[O]%17=C%14C)C)(Oc2c(C=[N]%21N=C([O]4%22)c4ccc8c%11nccnc%11c%11ccc([n]1c%11c8[n]54)C(=N[N]%12=Cc1ccccc1O9)[O]3%10)cccc2)([O]=C7C)[O]6%20)[OH]C.OC.OC.OC |
| Title of publication | Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity. |
| Authors of publication | Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 14 |
| Pages of publication | 4404 - 4415 |
| a | 15.3903 ± 0.0011 Å |
| b | 17.2122 ± 0.0014 Å |
| c | 20.4239 ± 0.0016 Å |
| α | 111.207 ± 0.003° |
| β | 90.116 ± 0.004° |
| γ | 101.204 ± 0.003° |
| Cell volume | 4932.3 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0988 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251643 (current) | 2020-05-05 | cif/ Updating files of 7703732, 7703733, 7703734, 7703735, 7703736, 7703737 Original log message: Adding full bibliography for 7703732--7703737.cif. |
7703734.cif |
| 249426 | 2020-03-17 | cif/ Adding structures of 7703732, 7703733, 7703734, 7703735, 7703736, 7703737 via cif-deposit CGI script. |
7703734.cif |
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Users of the data should acknowledge the original authors of the
structural data.