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Information card for entry 7052772
Preview
| Coordinates | 7052772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48.72 H51.8 Cl2 Cu2 N7 O8.68 P2 |
|---|---|
| Calculated formula | C46 H45 Cl2 Cu2 N7 O8 P2 |
| SMILES | [Cu]1([P](CNc2cccc3c2cccc3NC[P]([Cu]([n]2cc[n]1cc2)[N]#CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions |
| Authors of publication | Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2471 |
| a | 11.357 ± 0.003 Å |
| b | 37.356 ± 0.006 Å |
| c | 12.909 ± 0.002 Å |
| α | 90° |
| β | 112.442 ± 0.003° |
| γ | 90° |
| Cell volume | 5061.9 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0781 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052772.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052772.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052772.cif |
| 30103 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052769, 7052770, 7052771, 7052772, 7052773 via cif-deposit CGI script. |
7052772.cif |
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