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Information card for entry 7222486
Preview
| Coordinates | 7222486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cu2(L-Cl-O)(Mu2-PO2(OC6H5)2](ClO4)2 |
|---|---|
| Formula | C44 H40 Cl3 Cu2 N6 O13 P |
| Calculated formula | C44 H40 Cl3 Cu2 N6 O13 P |
| SMILES | [Cu]1234[O]5[Cu]67([N](Cc8[n]6cccc8)(Cc6c5c(C[N]1(Cc1[n]3cccc1)Cc1[n]2cccc1)cc(Cl)c6)Cc1[n]7cccc1)[O]=P(O4)(Oc1ccccc1)Oc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate |
| Authors of publication | Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.9409 ± 0.0011 Å |
| b | 42.116 ± 0.005 Å |
| c | 10.8358 ± 0.001 Å |
| α | 90° |
| β | 103.104 ± 0.005° |
| γ | 90° |
| Cell volume | 4418.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.204 |
| Weighted residual factors for all reflections included in the refinement | 0.2165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.348 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222486.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222486.cif |
| 161231 | 2015-10-09 | cif/ Adding structures of 7222484, 7222485, 7222486, 7222487, 7222488 via cif-deposit CGI script. |
7222486.cif |
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Users of the data should acknowledge the original authors of the
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