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Information card for entry 1518521
Preview
| Coordinates | 1518521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C168 H168 Au8 Mo12 O46 P8 Si |
|---|---|
| Calculated formula | C168 H168 Au8 Mo12 O46 P8 Si |
| SMILES | [Au]([P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[O]([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C.[Au]([P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[O]([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C.[Mo]12345(=O)O[Mo]6789(=O)[O]%10%114[Mo]4%12(=O)(O5)(O6)O[Mo]56%13%14(O[Mo]%15%16%17(=O)(O4)[O]%125[Si]45%12%18%19%10[O]%103%11[Mo]3%11%20(=O)(O[Mo]%21%10(O1)(=O)(O%16)O[Mo]1%10(=O)(O[Mo]%16%22%23(=O)(O[Mo]%24%25(=O)(O1)(O3)O[Mo]1(O7)(O[Mo](=O)(O8)([O]941)(O%16)(O6)[O]%145%22[O]%19%10%23%25)(=O)(O%11)[O]%12%20%24)O%13)(O%15)[O]%17%18%21)O2)=O |
| Title of publication | Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes |
| Authors of publication | Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji |
| Journal of publication | Inorganics |
| Year of publication | 2014 |
| Journal volume | 2 |
| Journal issue | 4 |
| Pages of publication | 660 |
| a | 20.3813 ± 0.0007 Å |
| b | 20.3813 ± 0.0007 Å |
| c | 36.679 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13195.1 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518521.cif |
| 129334 | 2015-01-03 | cif/ Adding structures of 1518521 via cif-deposit CGI script. |
1518521.cif |
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Users of the data should acknowledge the original authors of the
structural data.