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Information card for entry 4079259
Preview
| Coordinates | 4079259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 B Cu F4 N4 |
|---|---|
| Calculated formula | C42 H60 B Cu F4 N4 |
| SMILES | [B](F)(F)(F)[F-].C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Cu]=C1N(C2CCCCC2)C=CN1C1CCCCC1 |
| Title of publication | Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes |
| Authors of publication | Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 22 |
| Pages of publication | 7969 |
| a | 20.475 ± 0.005 Å |
| b | 15.838 ± 0.004 Å |
| c | 13.143 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4262.1 ± 1.8 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.793 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178681 (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 4/07/92. |
4079259.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079259.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079259.cif |
| 72375 | 2013-01-21 | cif/ Adding structures of 4079257, 4079258, 4079259, 4079260, 4079261, 4079262 via cif-deposit CGI script. |
4079259.cif |
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Users of the data should acknowledge the original authors of the
structural data.