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Information card for entry 4072727
Preview
| Coordinates | 4072727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | mbn86 |
|---|---|
| Formula | C58 H40 Cl2 F10 O P2 Pt2 |
| Calculated formula | C58 H40 Cl2 F10 O P2 Pt2 |
| SMILES | [Pt]123([Pt]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([C]1#[C]2c1ccc(cc1)C)[H]3)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C(Cl)Cl.O |
| 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 | 12.414 ± 0.0003 Å |
| b | 13.7921 ± 0.0003 Å |
| c | 17.2697 ± 0.0005 Å |
| α | 79.742 ± 0.001° |
| β | 74.228 ± 0.001° |
| γ | 73.24 ± 0.001° |
| Cell volume | 2708.64 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0845 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
4072727.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072727.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072727.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. |
4072727.cif |
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Users of the data should acknowledge the original authors of the
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