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Information card for entry 7005826
Preview
| Coordinates | 7005826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 05006-complex 21 |
|---|---|
| Formula | C27 H30 Cu F6 N4 P |
| Calculated formula | C27 H30 Cu F6 N4 P |
| SMILES | [Cu]123[N](=Cc4ccccc4)CC[N]3(CC[N]1=Cc1ccccc1)CC[N]2=Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Modular syntheses of multidentate ligands with variable N-donors: applications to tri- and tetracopper(I) complexes. |
| Authors of publication | Brown, Eric C.; Johnson, Brandon; Palavicini, Sara; Kucera, Benjamin E.; Casella, Luigi; Tolman, William B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 28 |
| Pages of publication | 3035 - 3042 |
| a | 10.4705 ± 0.0012 Å |
| b | 11.0935 ± 0.0013 Å |
| c | 12.0139 ± 0.0014 Å |
| α | 83.962 ± 0.002° |
| β | 84.97 ± 0.002° |
| γ | 83.927 ± 0.002° |
| Cell volume | 1375.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7005826.cif |
| 179762 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/58. |
7005826.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005826.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005826.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005826.cif |
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Users of the data should acknowledge the original authors of the
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