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Information card for entry 7003950
Preview
| Coordinates | 7003950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Cl4 Cu N8 O8 |
|---|---|
| Calculated formula | C14 H20 Cl4 Cu N8 O8 |
| SMILES | c1c(ccc2c3ccc(c[n]3[Cu]([n]12)(Cl)Cl)CNC(=[NH2+])N)CNC(=[NH2+])N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Double-strand DNA cleavage by copper complexes of 2,2′-dipyridyl with guanidinium/ammonium pendants |
| Authors of publication | He, Juan; Hu, Ping; Wang, Yu-Jia; Tong, Ming-Liang; Sun, Hongzhe; Mao, Zong-Wan; Ji, Liang-Nian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 24 |
| Pages of publication | 3207 - 3214 |
| a | 17.202 ± 0.003 Å |
| b | 8.9681 ± 0.0013 Å |
| c | 15.145 ± 0.002 Å |
| α | 90° |
| β | 92.609 ± 0.003° |
| γ | 90° |
| Cell volume | 2334 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179743 (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 7/00/39. |
7003950.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003950.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003950.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7003950.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003950.cif |
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