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Information card for entry 7006418
Preview
| Coordinates | 7006418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | TlPt3 triphenylphosphine cluster |
|---|---|
| Formula | C65 H61 F6 O5 P4 Pt3 Tl |
| Calculated formula | C65 H61 F6 O5 P4 Pt3 Tl |
| SMILES | F[P](F)(F)(F)(F)[F-].[Pt]1234([Pt]56([Pt]1([Tl]25([O]1CCCC1)[O]1CCCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C3=O)C6=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C4=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Phosphine-ligated induced formation of thallium(I) full Pt3TlPt3 sandwich versus "open-face" TlPt3 sandwich with triangular Pt3(mu2-CO)3(PR3)3 units: synthesis and structural/spectroscopic analysis of triphenylphosphine [(mu3-Tl)Pt3(mu2-CO)3(PPh3)3]+ and its (mu3-AuPPh3)Pt3 analogue. |
| Authors of publication | de Silva, Namal; Fry, Charles G.; Dahl, Lawrence F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 8 |
| Pages of publication | 1051 - 1059 |
| a | 13.5297 ± 0.0015 Å |
| b | 14.7786 ± 0.0017 Å |
| c | 16.4101 ± 0.0018 Å |
| α | 89.065 ± 0.002° |
| β | 74.643 ± 0.002° |
| γ | 84.216 ± 0.002° |
| Cell volume | 3147.8 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006418.cif |
| 179768 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64. |
7006418.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006418.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006418.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006418.cif |
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Users of the data should acknowledge the original authors of the
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