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Information card for entry 4312097
Preview
| Coordinates | 4312097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 Cl4 Cu N5 O4 Re |
|---|---|
| Calculated formula | C29 H21 Cl4 Cu N5 O4 Re |
| SMILES | [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C(CC(=O)O1)O[Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.N#CC |
| Title of publication | Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties |
| Authors of publication | Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7823 - 7831 |
| a | 10.1199 ± 0.0013 Å |
| b | 17.8635 ± 0.0014 Å |
| c | 9.5576 ± 0.0009 Å |
| α | 98.56 ± 0.007° |
| β | 115.97 ± 0.008° |
| γ | 96.18 ± 0.009° |
| Cell volume | 1506.7 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179159 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20. |
4312097.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312097.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312097.cif |
| 3602 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312097 via cif-deposit CGI script. |
4312097.cif |
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