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Information card for entry 4067812
Preview
| Coordinates | 4067812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H80 N4 Ni P4 |
|---|---|
| Calculated formula | C52 H80 N4 Ni P4 |
| SMILES | [Ni]12([P]3(C(C)(C)C)CN(Cc4ccccc4)C[P]1(CN(Cc1ccccc1)C3)C(C)(C)C)[P]1(C(C)(C)C)CN(Cc3ccccc3)C[P]2(CN(Cc2ccccc2)C1)C(C)(C)C |
| Title of publication | Stabilization of Nickel Complexes with Ni0···H‒N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands |
| Authors of publication | Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 144 |
| a | 38.5337 ± 0.0007 Å |
| b | 12.8379 ± 0.0002 Å |
| c | 20.9599 ± 0.0004 Å |
| α | 90° |
| β | 97.235 ± 0.001° |
| γ | 90° |
| Cell volume | 10286.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2493 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178569 (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 4/06/78. |
4067812.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067812.cif |
| 37990 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067812, 4067813, 4067814 via cif-deposit CGI script. |
4067812.cif |
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Users of the data should acknowledge the original authors of the
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