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Information card for entry 1512765
Preview
| Coordinates | 1512765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 Cl2 Cu N5 O8 |
|---|---|
| Calculated formula | C21 H21 Cl2 Cu N5 O8 |
| SMILES | [Cu]123([N](=Cc4[n]1cccc4)CC(C)(c1ncccc1)C[N]2=Cc1[n]3cccc1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O |
| Title of publication | Copper(II) complexes of symmetric and asymmetric bis(imine) ligands: Tuning the Cu(I)/Cu(II) redox couple |
| Authors of publication | Anna Jozwiuk; Zhaodong Wang; Douglas R. Powell; Robert P. Houser |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 394 |
| Pages of publication | 415 - 422 |
| a | 9.183 ± 0.004 Å |
| b | 10.365 ± 0.004 Å |
| c | 12.064 ± 0.005 Å |
| α | 88.416 ± 0.008° |
| β | 84.424 ± 0.01° |
| γ | 85.125 ± 0.012° |
| Cell volume | 1138.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0777 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
1512765.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512765.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512765.cif |
| 90850 | 2013-11-20 | cif/ Adding structures of 1512765 via cif-deposit CGI script. |
1512765.cif |
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