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Information card for entry 4106596
Preview
| Coordinates | 4106596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H77 B F24 N Ni P2 |
|---|---|
| Calculated formula | C74 H77 B F24 N Ni P2 |
| SMILES | [Ni]1([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)=Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.FC(F)(F)c1cc(cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1)C(F)(F)F |
| Title of publication | Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes |
| Authors of publication | Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 13055 - 13063 |
| a | 14.2589 ± 0.0012 Å |
| b | 13.0889 ± 0.0011 Å |
| c | 39.706 ± 0.003 Å |
| α | 90° |
| β | 90.907 ± 0.002° |
| γ | 90° |
| Cell volume | 7409.5 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1241 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178811 (current) | 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. |
4106596.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106596.cif |
| 53398 | 2012-04-19 | cif/ Adding structures of 4106596 via cif-deposit CGI script. |
4106596.cif |
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Users of the data should acknowledge the original authors of the
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