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Information card for entry 4105522
Preview
| Coordinates | 4105522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H43.5 N7 Na O51.5 P Re W12 |
|---|---|
| Calculated formula | C33 H39 N7 Na O51.5 P Re W12 |
| SMILES | c1ccc2c3c4c(ccc[n]4[Re]([n]13)(C#[O])(C#[O])(C#[O])[N]#CC)c1c2[O]2CC[O]3[Na]452([N]#CC)[O](CC3)CC[O]4CC[O]15.[W]1234(=O)O[W]567(O[W]89%10(=O)O[W]%11%12%13(O[W]%14%15(O[W]%16%17(O[W]%18%19(O[W]%20%21([O]%22=P([O]%17%19[W](O%11)(=O)(O[W]%22(O%12)(O[W](O5)(O8)(=O)O%20)(=O)O%21)(O%18)O%16)([O]47)[O]%10%13%15)(O1)=O)(=O)O2)(=O)O[W](=O)(O6)(O3)O%14)(O9)=O)=O)=O.O.C(#N)C.C(#N)C.O.O.C(#N)C.O |
| Title of publication | Photoreduction of Carbon Dioxide to Carbon Monoxide with Hydrogen Catalyzed by a Rhenium(I) Phenanthroline-Polyoxometalate Hybrid Complex |
| Authors of publication | Jessica Ettedgui; Yael Diskin-Posner; Lev Weiner; Ronny Neumann |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 188 - 190 |
| a | 12.3808 ± 0.0003 Å |
| b | 12.7008 ± 0.0003 Å |
| c | 23.8421 ± 0.0005 Å |
| α | 92.965 ± 0.001° |
| β | 97.411 ± 0.001° |
| γ | 106.948 ± 0.001° |
| Cell volume | 3540.49 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286259 (current) | 2023-09-07 | cif/4 Fixing Z values and formulae |
4105522.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4105522.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4105522.cif |
| 52281 | 2012-04-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4105522 via cif-deposit CGI script. |
4105522.cif |
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Users of the data should acknowledge the original authors of the
structural data.