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Information card for entry 4102033
Preview
| Coordinates | 4102033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H72 B3 F4 O6 P2 Re |
|---|---|
| Calculated formula | C56 H72 B3 F4 O6 P2 Re |
| Title of publication | Homogeneous CO Hydrogenation: Dihydrogen Activation Involves a Frustrated Lewis Pair Instead of a Platinum Complex |
| Authors of publication | Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 3301 - 3303 |
| a | 9.7744 ± 0.0004 Å |
| b | 10.3565 ± 0.0004 Å |
| c | 14.9063 ± 0.0006 Å |
| α | 92.554 ± 0.002° |
| β | 104.359 ± 0.002° |
| γ | 105.481 ± 0.002° |
| Cell volume | 1398.82 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0311 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.373 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4102033.cif |
| 178766 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/20. |
4102033.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4102033.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102033.cif |
| 24855 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4102033 via cif-deposit CGI script. |
4102033.cif |
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Users of the data should acknowledge the original authors of the
structural data.