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Information card for entry 4063227
Preview
| Coordinates | 4063227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C560 H712 Cl16 O64 P16 Rh8 |
|---|---|
| Calculated formula | C560 H712 Cl16 O64 P16 Rh8 |
| Title of publication | Bulky Diphosphite-Modified Rhodium Catalysts: Hydroformylation and Characterization |
| Authors of publication | Annemiek van Rooy; Paul C. J. Kamer; Piet W. N. M. van Leeuwen; Kees Goubitz; Jan Fraanje; Nora Veldman; Anthony L. Spek |
| Journal of publication | Organometallics |
| Year of publication | 1996 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 835 - 847 |
| a | 40.632 ± 0.006 Å |
| b | 13.943 ± 0.003 Å |
| c | 23.645 ± 0.005 Å |
| α | 90° |
| β | 92.42 ± 0.015° |
| γ | 90° |
| Cell volume | 13383.7 ± 4.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1877 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections | 0.1643 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Goodness-of-fit parameter for all reflections | 0.935 |
| Goodness-of-fit parameter for significantly intense reflections | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 134621 (current) | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4063227.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4063227.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063227.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063227.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063227.cif |
| 21 | 2008-01-26 | Replacing all my collected files in COD with a newly regenerated CIF files that now have correct syntax. |
4063227.cif |
| 20 | 2008-01-26 | Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\s+\n$/\n/' |
4063227.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4063227.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4063227.cif |
| 5 | 2008-01-03 | Adding 507 CIF files deposited into COD today, on 2008.01.03. |
4063227.cif |
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Users of the data should acknowledge the original authors of the
structural data.