Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512764
Preview
| Coordinates | 1512764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H52 Cl4 Cu2 N8 O20 |
|---|---|
| Calculated formula | C46 H52 Cl4 Cu2 N8 O20 |
| SMILES | [Cu]1234[N](=Cc5c([O]1[Cu]167[N](=Cc8c([O]21)cccc8)CC(C)(c1[nH+]cccc1)C[N]6=Cc1[n]7cccc1)cccc5)CC(C)(c1[nH+]cccc1)C[N]3=Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC |
| 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 | 20.587 ± 0.012 Å |
| b | 12.266 ± 0.007 Å |
| c | 21.779 ± 0.012 Å |
| α | 90° |
| β | 110.162 ± 0.016° |
| γ | 90° |
| Cell volume | 5163 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| 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. |
1512764.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. |
1512764.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512764.cif |
| 90849 | 2013-11-20 | cif/ Adding structures of 1512764 via cif-deposit CGI script. |
1512764.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.