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Information card for entry 4333295
Preview
| Coordinates | 4333295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H40 Cu2 F12 N6 O2 P2 |
|---|---|
| Calculated formula | C40 H40 Cu2 F12 N6 O2 P2 |
| SMILES | [Cu]1234[n]5c(cccc5)C[N]3(Cc3cccc[n]23)Cc2c([O]4[Cu]345[n]6ccccc6C[N]4(Cc4[n]3cccc4)Cc3c([O]15)ccc(c3)C)ccc(c2)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Copper(II) Complexes with New Polypodal Ligands Presenting Axial−Equatorial Phenoxo Bridges {2-[(Bis(2-pyridylmethyl)amino)methyl]-4-methylphenol, 2-[(Bis(2-pyridylmethyl)amino)methyl]-4-methyl-6-(methylthio)phenol}: Examples of Ferromagnetically Coupled Bi- and Trinuclear Copper(II) Complexes |
| Authors of publication | Manzur, Jorge; Mora, Hector; Vega, Andrés; Spodine, Evgenia; Venegas-Yazigi, Diego; Garland, María Teresa; El Fallah, M. Salah; Escuer, Albert |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6924 - 6932 |
| a | 11.2421 ± 0.0013 Å |
| b | 16.7619 ± 0.0019 Å |
| c | 11.9655 ± 0.0014 Å |
| α | 90° |
| β | 107.422 ± 0.002° |
| γ | 90° |
| Cell volume | 2151.3 ± 0.4 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179435 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/32. |
4333295.cif |
| 98909 | 2014-01-30 | cif/ Adding structures of 4333293, 4333294, 4333295 via cif-deposit CGI script. |
4333295.cif |
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Users of the data should acknowledge the original authors of the
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