Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4303702
Preview
| Coordinates | 4303702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H43 Cu2 F6 N9 O6 S2 |
|---|---|
| Calculated formula | C40 H43 Cu2 F6 N9 O6 S2 |
| SMILES | [Cu]123[n]4ccccc4C[N]41CC[N]2=Cc1ccc(cc1)C=[N]1[Cu]25[N](CC1)(Cc1[n]2cccc1)CC[N]5=Cc1ccc(cc1)C=[N]3CC4.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.CC#N |
| Title of publication | DNA-Cleavage Induced by New Macrocyclic Schiff base Dinuclear Cu(I) Complexes Containing Pyridyl Pendant Arms |
| Authors of publication | Arnau Arbuse; Marc Font; Ma Angeles Martínez; Xavier Fontrodona; Ma José Prieto; Virtudes Moreno; Xavier Sala; Antoni Llobet |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 11098 - 11107 |
| a | 10.7658 ± 0.0011 Å |
| b | 13.4453 ± 0.0014 Å |
| c | 16.566 ± 0.0017 Å |
| α | 110.323 ± 0.002° |
| β | 94.852 ± 0.002° |
| γ | 98.578 ± 0.002° |
| Cell volume | 2199.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4303702.cif |
| 179075 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/37. |
4303702.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303702.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303702.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303702.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.