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Information card for entry 1561207
Preview
| Coordinates | 1561207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H10 N8 O5 |
|---|---|
| Calculated formula | C7 H10 N8 O5 |
| SMILES | n1nn[nH]c1C(CC(=O)O)(c1[nH]nnn1)CC(=O)O.O |
| Title of publication | Regulation of deprotonation of 3,3-di(1H-tetrazol-5-yl)pentanedioic acid: Solvothermal synthesis of La(III) and heterometallic La(III)/Cu(II) compounds for ablation of A549 cells |
| Authors of publication | Guo, Meng Yue; Zhang, Xin; Zhao, Liang; Li, Yue Kang; Chen, Dian Yu; Yang, Gao Wen; Li, Qiao Yun |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 259 |
| Pages of publication | 104 - 109 |
| a | 7.1446 ± 0.0014 Å |
| b | 11.535 ± 0.002 Å |
| c | 14.236 ± 0.003 Å |
| α | 90° |
| β | 93.21 ± 0.03° |
| γ | 90° |
| Cell volume | 1171.4 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1258 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.1692 |
| Weighted residual factors for all reflections included in the refinement | 0.1933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1561207.cif |
| 263251 | 2021-03-23 | cif/ Adding structures of 1561207 via cif-deposit CGI script. |
1561207.cif |
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Users of the data should acknowledge the original authors of the
structural data.