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Information card for entry 4076843
Preview
| Coordinates | 4076843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H59 B Cl4 F4 O3 P5 Rh Ru |
|---|---|
| Calculated formula | C59 H59 B Cl4 F4 O3 P5 Rh Ru |
| SMILES | [Rh]123([Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C3)([P](C)(C)C)C#[O].[B](F)(F)(F)[F-].ClCCl.ClCCl |
| Title of publication | Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues |
| Authors of publication | Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2002 |
| Journal volume | 21 |
| Journal issue | 15 |
| Pages of publication | 3228 |
| a | 20.3808 ± 0.0013 Å |
| b | 12.7481 ± 0.0009 Å |
| c | 23.2397 ± 0.0014 Å |
| α | 90° |
| β | 91.4953 ± 0.0016° |
| γ | 90° |
| Cell volume | 6036 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178657 (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 4/07/68. |
4076843.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076843.cif |
| 54085 | 2012-04-20 | cif/ Adding structures of 4076841, 4076842, 4076843 via cif-deposit CGI script. |
4076843.cif |
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Users of the data should acknowledge the original authors of the
structural data.