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Information card for entry 4327634
Preview
| Coordinates | 4327634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5 |
|---|---|
| Formula | C19 H25 Cu F12 N5 P2 |
| Calculated formula | C19 H25 Cu F12 N5 P2 |
| SMILES | [Cu]123([N]4(CCC[N]3(CC4)Cc3[n]1cccc3)Cc1[n]2cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination |
| Authors of publication | Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 4913 - 4920 |
| a | 11.733 ± 0.002 Å |
| b | 13.645 ± 0.003 Å |
| c | 16.509 ± 0.003 Å |
| α | 90° |
| β | 91.01 ± 0.03° |
| γ | 90° |
| Cell volume | 2642.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1967 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.2287 |
| Weighted residual factors for all reflections included in the refinement | 0.2791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4327634.cif |
| 179379 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/76. |
4327634.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327634.cif |
| 61466 | 2012-07-04 | cif/ Adding structures of 4327634 via cif-deposit CGI script. |
4327634.cif |
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Users of the data should acknowledge the original authors of the
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