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Information card for entry 4082933
Preview
| Coordinates | 4082933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Cu N2 O2 |
|---|---|
| Calculated formula | C20 H24 Cu N2 O2 |
| SMILES | [Cu]12([N](=C3C=CC=CC=C3O1)C(C)C)[N](=C1C=CC=CC=C1O2)C(C)C |
| Title of publication | π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes |
| Authors of publication | Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1630 |
| a | 11.9233 ± 0.0002 Å |
| b | 11.9233 ± 0.0002 Å |
| c | 13.3966 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1904.53 ± 0.05 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0193 |
| Residual factor for significantly intense reflections | 0.0185 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.0484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4082933.cif |
| 109896 | 2014-04-17 | cif/ Updating files of 4082933 Original log message: Adding full bibliography for 4082933.cif. |
4082933.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. |
4082933.cif |
| 109768 | 2014-04-17 | cif/ Updating files of 4082933 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082933.cif. |
4082933.cif |
| 108702 | 2014-04-02 | cif/ Adding structures of 4082927, 4082928, 4082929, 4082930, 4082931, 4082932, 4082933 via cif-deposit CGI script. |
4082933.cif |
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