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Information card for entry 4070674
Preview
| Coordinates | 4070674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H30 B F15 N2 Ni O |
|---|---|
| Calculated formula | C43 H30 B F15 N2 Ni O |
| SMILES | [B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[N]#CC1=C(C)N([Ni]23([CH2]=[C]42C=CC=CC34)[O]=C1C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality |
| Authors of publication | Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1671 |
| a | 11.3232 ± 0.0018 Å |
| b | 16.038 ± 0.003 Å |
| c | 22.489 ± 0.004 Å |
| α | 90° |
| β | 104.101 ± 0.004° |
| γ | 90° |
| Cell volume | 3961 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1717 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070674.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070674.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070674.cif |
| 42636 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070674 via cif-deposit CGI script. |
4070674.cif |
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Users of the data should acknowledge the original authors of the
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