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Information card for entry 4072027
Preview
| Coordinates | 4072027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H4 B Cu F21 N7 |
|---|---|
| Calculated formula | C26 H4 B Cu F21 N7 |
| SMILES | [Cu]12([n]3n(c4c(c3C(F)(F)F)c(F)c(F)c(F)c4F)[BH](n3[n]1c(c1c3c(F)c(F)c(F)c1F)C(F)(F)F)n1[n]2c(c2c1c(F)c(F)c(F)c2F)C(F)(F)F)[N]#CC |
| Title of publication | A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag) |
| Authors of publication | Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4779 |
| a | 17.9262 ± 0.001 Å |
| b | 17.6733 ± 0.001 Å |
| c | 9.2157 ± 0.0006 Å |
| α | 90° |
| β | 95.485 ± 0.003° |
| γ | 90° |
| Cell volume | 2906.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (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 4/07/20. |
4072027.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072027.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072027.cif |
| 44181 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072027 via cif-deposit CGI script. |
4072027.cif |
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Users of the data should acknowledge the original authors of the
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