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Information card for entry 4121672
Preview
| Coordinates | 4121672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H73 B N P3 Ru Si |
|---|---|
| Calculated formula | C72 H73 B N P3 Ru Si |
| SMILES | [Ru]123([P](c4ccccc4)(c4ccccc4)C[B](c4ccccc4)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)([Si](c1c(cc(cc1C)C)C)(c1c(cc(C)cc1C)C)[H]3)C#[N]c1c(C)cccc1C |
| Title of publication | Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination. |
| Authors of publication | Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 16 |
| Pages of publication | 6092 - 6102 |
| a | 14.8682 ± 0.001 Å |
| b | 15.3817 ± 0.0009 Å |
| c | 16.0142 ± 0.0011 Å |
| α | 87.716 ± 0.002° |
| β | 89.078 ± 0.002° |
| γ | 61.844 ± 0.002° |
| Cell volume | 3226.4 ± 0.4 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 | 0.0973 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179018 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16. |
4121672.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4121672.cif |
| 112735 | 2014-05-04 | cif/ Updating files of 4121672, 4121673, 4121674 Original log message: Adding full bibliography for 4121672--4121674.cif. |
4121672.cif |
| 109363 | 2014-04-11 | cif/ Adding structures of 4121672 via cif-deposit CGI script. |
4121672.cif |
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Users of the data should acknowledge the original authors of the
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