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Information card for entry 4077801
Preview
| Coordinates | 4077801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H69 Cl2 F6 O4 P7 Pt3 Ru |
|---|---|
| Calculated formula | C80 H69 Cl2 F6 O4 P7 Pt3 Ru |
| SMILES | [Pt]123456[Pt]7([Pt]81([H]6)([Ru]2(C3=O)(C8=O)(C#[O])C#[O])([P](C[P]7(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
| Title of publication | Complexes with Platinum−Ruthenium Bonds: Synthesis, Structure, and Fluxionality of Pt3Ru Cluster Complexes |
| Authors of publication | Sterenberg, Brian T.; Jennings, Michael C.; Puddephatt, Richard J. |
| Journal of publication | Organometallics |
| Year of publication | 1999 |
| Journal volume | 18 |
| Journal issue | 18 |
| Pages of publication | 3737 |
| a | 12.6881 ± 0.0003 Å |
| b | 26.5007 ± 0.0004 Å |
| c | 23.6364 ± 0.0005 Å |
| α | 90° |
| β | 98.0317 ± 0.0008° |
| γ | 90° |
| Cell volume | 7869.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178667 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/78. |
4077801.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077801.cif |
| 57222 | 2012-05-17 | cif/ Adding structures of 4077801 via cif-deposit CGI script. |
4077801.cif |
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Users of the data should acknowledge the original authors of the
structural data.