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Information card for entry 4067891
Preview
| Coordinates | 4067891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H48 Co F18 N16 P3 |
|---|---|
| Calculated formula | C54 H48 Co F18 N16 P3 |
| SMILES | c1ccccc1Cn1cc2[n](n1)[Co]134([n]5nn(cc5CN5C=4N(Cc4cn(Cc6ccccc6)n[n]34)c3ccccc53)Cc3ccccc3)=C3N(c4c(N3C2)cccc4)Cc2[n]1nn(c2)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes |
| Authors of publication | Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 282 |
| a | 24.521 ± 0.003 Å |
| b | 12.3041 ± 0.001 Å |
| c | 19.672 ± 0.002 Å |
| α | 90° |
| β | 104.803 ± 0.007° |
| γ | 90° |
| Cell volume | 5738.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0805 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1892 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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. |
4067891.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067891.cif |
| 38020 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067886, 4067887, 4067888, 4067889, 4067890, 4067891, 4067892 via cif-deposit CGI script. |
4067891.cif |
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