Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005101
Preview
| Coordinates | 7005101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H128 Cl8 N12 O36 Zn |
|---|---|
| Calculated formula | C72 H128 Cl8 N12 O36 Zn |
| SMILES | [Zn]123([n]4cc(ccc4c4[n]1cc(cc4)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC)([n]1cc(ccc1c1[n]2cc(cc1)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC)[n]1cc(ccc1c1[n]3cc(cc1)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O |
| Title of publication | Cleavage of double-strand DNA by zinc complexes of dicationic 2,2'-dipyridyl derivatives. |
| Authors of publication | An, Yan; Lin, Yan-Yong; Wang, Hui; Sun, Hong-Zhe; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 12 |
| Pages of publication | 1250 - 1254 |
| a | 18.7486 ± 0.0007 Å |
| b | 52.014 ± 0.002 Å |
| c | 13.1492 ± 0.0005 Å |
| α | 90° |
| β | 131.918 ± 0.003° |
| γ | 90° |
| Cell volume | 9541.6 ± 0.8 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.2039 |
| Weighted residual factors for all reflections included in the refinement | 0.2149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179755 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/51. |
7005101.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005101.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005101.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005101.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.