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Information card for entry 4082913
Preview
| Coordinates | 4082913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H35 Cl7 N2 O2 P Re Sb |
|---|---|
| Calculated formula | C21 H35 Cl7 N2 O2 P Re Sb |
| Title of publication | Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States |
| Authors of publication | Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1672 |
| a | 15.5329 ± 0.0012 Å |
| b | 8.4482 ± 0.0006 Å |
| c | 24.9274 ± 0.0018 Å |
| α | 90° |
| β | 102.76 ± 0.006° |
| γ | 90° |
| Cell volume | 3190.3 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.1905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178718 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082913.cif |
| 109878 | 2014-04-17 | cif/ Updating files of 4082913 Original log message: Adding full bibliography for 4082913.cif. |
4082913.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082913.cif |
| 109749 | 2014-04-17 | cif/ Updating files of 4082913 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082913.cif. |
4082913.cif |
| 108696 | 2014-04-02 | cif/ Adding structures of 4082910, 4082911, 4082912, 4082913, 4082914 via cif-deposit CGI script. |
4082913.cif |
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Users of the data should acknowledge the original authors of the
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