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Information card for entry 4067773
Preview
| Coordinates | 4067773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H31 N3 Ni O2 |
|---|---|
| Calculated formula | C25 H31 N3 Ni O2 |
| SMILES | [Ni]12(N(c3c(C4=[N]1[C@@H](C(C)C)CO4)cccc3)c1ccccc1C1=[N]2[C@H](CO1)C(C)C)C |
| Title of publication | Magnitudes of Electron-Withdrawing Effects of the Trifluoromethyl Ligand in Organometallic Complexes of Copper and Nickel |
| Authors of publication | Kieltsch, Iris; Dubinina, Galyna G.; Hamacher, Claudia; Kaiser, André; Torres-Nieto, Jorge; Hutchison, John M.; Klein, Axel; Budnikova, Yulia; Vicic, David A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 6 |
| Pages of publication | 1451 |
| a | 9.244 ± 0.003 Å |
| b | 10.575 ± 0.003 Å |
| c | 24.129 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2358.7 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77. |
4067773.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067773.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067773.cif |
| 34288 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067773, 4067774, 4067775 via cif-deposit CGI script. |
4067773.cif |
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Users of the data should acknowledge the original authors of the
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