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Information card for entry 7703737
Preview
| Coordinates | 7703737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H65 N16 O25 Tb5 |
|---|---|
| Calculated formula | C74 H65 N16 O25 Tb5 |
| SMILES | [Tb]1234567([O]8[Tb]9%10%11%12%13%14[O]%15[Tb]%16%17%18%19%20([O]4[Tb]4%21(O1)([O]%16C(=N[N]%21=Cc1c(O4)cccc1)c1[n]%20c4c%16[n]%19c(C%15=N[N]%14=Cc%14c(O%10)cccc%14)ccc%16c%10nccnc%10c4cc1)([O]=C([O]%11%18)C)OC(=[O][Tb]14%10([O]2C(=N[N]%10=Cc2c(O1)cccc2)c1[n]7c2c(cc1)c1nccnc1c1c2[n]6c(C([O]59)=N[N]%13=Cc2c(O%12)cccc2)cc1)([O]3=C8C)(OC(=[O]%17)C)OC(=[O]4)C)C)[OH2])[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 | 15.441 ± 0.0009 Å |
| b | 17.2204 ± 0.001 Å |
| c | 20.4129 ± 0.0011 Å |
| α | 111.301 ± 0.002° |
| β | 90.017 ± 0.002° |
| γ | 101.333 ± 0.002° |
| Cell volume | 4943.1 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
7703737.cif |
| 249426 | 2020-03-17 | cif/ Adding structures of 7703732, 7703733, 7703734, 7703735, 7703736, 7703737 via cif-deposit CGI script. |
7703737.cif |
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Users of the data should acknowledge the original authors of the
structural data.