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Information card for entry 4072730
Preview
| Coordinates | 4072730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound X |
|---|---|
| Formula | C63 H44 F10 O2 P2 Pt2 |
| Calculated formula | C63 H44 F10 O2 P2 Pt2 |
| SMILES | [Pt]1([OH][Pt]2(c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)[CH]1=[CH]2C(O)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2] |
| Authors of publication | Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 5 |
| Pages of publication | 1161 |
| a | 22.4467 ± 0.0001 Å |
| b | 10.9348 ± 0.0001 Å |
| c | 24.741 ± 0.0002 Å |
| α | 90° |
| β | 116.6 ± 0.0004° |
| γ | 90° |
| Cell volume | 5429.92 ± 0.07 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178616 (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 4/07/27. |
4072730.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072730.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072730.cif |
| 45970 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072724, 4072725, 4072726, 4072727, 4072728, 4072729, 4072730 via cif-deposit CGI script. |
4072730.cif |
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Users of the data should acknowledge the original authors of the
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