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Information card for entry 4079262
Preview
| Coordinates | 4079262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H63 B Cu F4 N2 P |
|---|---|
| Calculated formula | C39 H63 B Cu F4 N2 P |
| SMILES | [Cu](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-] |
| 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 | 20.654 ± 0.005 Å |
| b | 21.449 ± 0.004 Å |
| c | 20.277 ± 0.005 Å |
| α | 90° |
| β | 114.94 ± 0.006° |
| γ | 90° |
| Cell volume | 8145 ± 3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.1262 |
| Residual factor for significantly intense reflections | 0.0933 |
| Weighted residual factors for significantly intense reflections | 0.264 |
| Weighted residual factors for all reflections included in the refinement | 0.2975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| 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. |
4079262.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079262.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079262.cif |
| 72375 | 2013-01-21 | cif/ Adding structures of 4079257, 4079258, 4079259, 4079260, 4079261, 4079262 via cif-deposit CGI script. |
4079262.cif |
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Users of the data should acknowledge the original authors of the
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