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Information card for entry 4321412
Preview
| Coordinates | 4321412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H52 Cl2 Cu2 Fe2 N6 O12 |
|---|---|
| Calculated formula | C34 H52 Cl2 Cu2 Fe2 N6 O12 |
| SMILES | [NH2]1[Cu]23([NH](CCC1)CCC[NH2]2)[O]=C([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[cH]92)O[Cu]12([NH2]CCC[NH]1CCC[NH2]2)[O]=C([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[cH]92)O3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Ferromagnetic Copper(II) Complex Containing Ferrocenecarboxylato Bridging Ligands |
| Authors of publication | Concepción López; Ramon Costa; Francesc Illas; Elies Molins; Enric Espinosa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 4560 - 4565 |
| a | 9.92 ± 0.002 Å |
| b | 12.925 ± 0.002 Å |
| c | 15.768 ± 0.003 Å |
| α | 90° |
| β | 93.17 ± 0.01° |
| γ | 90° |
| Cell volume | 2018.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1608 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179317 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/14. |
4321412.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321412.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321412.cif |
| 18782 | 2011-05-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4321412 via cif-deposit CGI script. |
4321412.cif |
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