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Information card for entry 4082934
Preview
| Coordinates | 4082934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H63 Cl3 Cr N3 O2.5 P4 |
|---|---|
| Calculated formula | C63 H63 Cl3 Cr N3 O2.5 P4 |
| Title of publication | Reactivity with Alkylaluminum of a Chromium Complex of a Pyridine-Containing PNP Ligand: Redox N‒P Bond Cleavage |
| Authors of publication | Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1602 |
| a | 10.3183 ± 0.0004 Å |
| b | 12.5463 ± 0.0005 Å |
| c | 24.2213 ± 0.001 Å |
| α | 86.477 ± 0.002° |
| β | 88.342 ± 0.002° |
| γ | 73.417 ± 0.002° |
| Cell volume | 2999.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1798 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4082934.cif |
| 132563 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "===END===" strings from values of '_refine_diff_density_rms' tag for 87 CIFs in range 4. |
4082934.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 {}' |
4082934.cif |
| 109897 | 2014-04-17 | cif/ Updating files of 4082934 Original log message: Adding full bibliography for 4082934.cif. |
4082934.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. |
4082934.cif |
| 109769 | 2014-04-17 | cif/ Updating files of 4082934 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082934.cif. |
4082934.cif |
| 108703 | 2014-04-02 | cif/ Adding structures of 4082934, 4082935, 4082936 via cif-deposit CGI script. |
4082934.cif |
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Users of the data should acknowledge the original authors of the
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