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Information card for entry 4079360
Preview
| Coordinates | 4079360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | in manuscript 2b |
|---|---|
| Formula | C41 H64 Cl2 Cu2 F12 N4 P4 |
| Calculated formula | C41.001 H64.002 Cl2.002 Cu2 F12 N4 P4 |
| Title of publication | Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC) |
| Authors of publication | Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 22 |
| Pages of publication | 8000 |
| a | 10.535 ± 0.0004 Å |
| b | 14.1754 ± 0.0005 Å |
| c | 18.8638 ± 0.0007 Å |
| α | 82.406 ± 0.001° |
| β | 81.66 ± 0.001° |
| γ | 72.915 ± 0.001° |
| Cell volume | 2652.32 ± 0.17 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0735 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178682 (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 4/07/93. |
4079360.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079360.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079360.cif |
| 72417 | 2013-01-21 | cif/ Adding structures of 4079359, 4079360, 4079361, 4079362, 4079363, 4079364, 4079365, 4079366, 4079367 via cif-deposit CGI script. |
4079360.cif |
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Users of the data should acknowledge the original authors of the
structural data.