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Information card for entry 4106574
Preview
| Coordinates | 4106574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | L(tBu)Co(THF) |
|---|---|
| Formula | C39 H61 Co N2 O |
| Calculated formula | C39 H61 Co N2 O |
| SMILES | [Co]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1 |
| Title of publication | A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds |
| Authors of publication | Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 12418 - 12421 |
| a | 9.4077 ± 0.0008 Å |
| b | 17.7033 ± 0.0014 Å |
| c | 21.4739 ± 0.0017 Å |
| α | 90° |
| β | 94.762 ± 0.002° |
| γ | 90° |
| Cell volume | 3564.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1263 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4106574.cif |
| 178811 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65. |
4106574.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106574.cif |
| 53376 | 2012-04-19 | cif/ Adding structures of 4106574 via cif-deposit CGI script. |
4106574.cif |
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Users of the data should acknowledge the original authors of the
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