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Information card for entry 7226617
Preview
| Coordinates | 7226617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41.5 H133.2 Gd K1.3 N8.3 Na3.2 O120.6 P2 W22 |
|---|---|
| Calculated formula | C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 |
| SMILES | C(=O)([C@@H]1CCCN1)[O-].[K+].O=[W]1234[O]5=P(O[W]678(=O)O[W]9(=O)(O[W]%10(=O)(O[W]%11(=O)(O6)O[W]6(=O)(O7)O[W]7%12(=O)O[W](O8)(O9)(O[W]5(=O)(=[O][Gd]589%13([O]=[W]%14%15%16([O]%17=P%18%19[O]%20[W]%21%22%23(O[W]%24%25(O[W]%26(O[W]%27(=O)(O%18)(=[O]5)O[W]5(=O)([O]%19[W]%18(=O)(O%24)(O[W](O%21)(O[W]%17(=O)(=[O]9)(O%18)O%14)(=O)O[W]%20(=O)(O%22)(O[W](=O)(O%26)(O%16)O%27)O%15)O5)(=[O]8)O%25)(=O)O%23)=O)=O)=O)([O]=1)[O]=[W](=O)(O%11)(O%10)O[W](=O)(=[O]%13)(O6)O7)(O%12)O4)=O)O3)O2)(=O)[O-].O.O.O=C([C@@H]1CCCCN1)[O-].O.N1[C@H](C(=O)[O-])CCC1.[Na+].O.[Na+].O.O.O.O.O=C([O-])[C@H]1NCCC1.O.O.O.O.O |
| Title of publication | On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline |
| Authors of publication | Iijima, Jun; Naruke, Haruo; Sanji, Takanobu |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 94 |
| Pages of publication | 91494 |
| a | 12.8744 ± 0.0006 Å |
| b | 13.3048 ± 0.0007 Å |
| c | 19.7946 ± 0.0009 Å |
| α | 103.687 ± 0.0013° |
| β | 93.1594 ± 0.0011° |
| γ | 97.526 ± 0.0013° |
| Cell volume | 3252.9 ± 0.3 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 9 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186766 (current) | 2016-09-24 | cif/ Adding structures of 7226614, 7226615, 7226616, 7226617, 7226618, 7226619, 7226620, 7226621, 7226622, 7226623 via cif-deposit CGI script. |
7226617.cif |
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Users of the data should acknowledge the original authors of the
structural data.