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Information card for entry 1518795
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| Coordinates | 1518795.cif |
|---|---|
| External links | PubChem |
| Formula | C81 H67.5 Cl2.5 I3 P4 Pd Pt2 |
|---|---|
| Calculated formula | C81 H67.5 Cl2.5 I3 P4 Pd Pt2 |
| SMILES | [Pt]123([Pt](I)([Pd]2([I]1)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P]3(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1 |
| Title of publication | Phosphanido-Bridged Triangular Platinum Clusters as Versatile Platforms: A Personal Account |
| Authors of publication | Bender, Robert; Welter, Richard; Braunstein, Pierre |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2015 |
| Journal volume | 424 |
| Pages of publication | 20 - 28 |
| a | 13.9 ± 0.005 Å |
| b | 27.991 ± 0.005 Å |
| c | 20.413 ± 0.005 Å |
| α | 90° |
| β | 103.253 ± 0.005° |
| γ | 90° |
| Cell volume | 7731 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0995 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518795.cif |
| 209529 | 2018-08-10 | cif/1/ Removing duplicate rows from the ATOM_TYPE loop in entries 1506319, 1516324, 1518249, 1518250, 1518251, 1518795, 1542433, 1548645. |
1518795.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1518795.cif |
| 133653 | 2015-03-08 | cif/ Adding structures of 1518795 via cif-deposit CGI script. |
1518795.cif |
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Users of the data should acknowledge the original authors of the
structural data.