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Information card for entry 4060015
Preview
| Coordinates | 4060015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H58 Ce F5 |
|---|---|
| Calculated formula | C40 H58 Ce F5 X0 |
| Title of publication | Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies |
| Authors of publication | Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 279 - 292 |
| a | 10.14 ± 0.0009 Å |
| b | 12.213 ± 0.001 Å |
| c | 15.632 ± 0.001 Å |
| α | 85.86 ± 0.001° |
| β | 81.146 ± 0.001° |
| γ | 78.336 ± 0.001° |
| Cell volume | 1871.7 ± 0.3 Å3 |
| Cell temperature | 122.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.52 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4060015.cif |
| 135348 | 2015-04-24 | cif/4/06/00/ (antanas@echidna.ibt.lt) Marking atoms 'C(101)' and 'C(102)' as dummies in CIF 4060015. |
4060015.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4060015.cif |
| 62980 | 2012-07-13 | cif/4 Fixing the bibliographic data in a set of files published in the JACS but que apperead as published in Organometallics. |
4060015.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060015.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. |
4060015.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060015.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060015.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. |
4060015.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060015.cif |
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Users of the data should acknowledge the original authors of the
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