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Information card for entry 7033613
Preview
| Coordinates | 7033613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H54 N4 Ni O5 S |
|---|---|
| Calculated formula | C44 H54 N4 Ni O5 S |
| Title of publication | Synthesis and characterisation of nickel Schiff base complexes containing the meso-1,2-diphenylethylenediamine moiety: selective interactions with a tetramolecular DNA quadruplex. |
| Authors of publication | Davis, Kimberley J.; Richardson, Christopher; Beck, Jennifer L.; Knowles, Brett M.; Guédin, Aurore; Mergny, Jean-Louis; Willis, Anthony C.; Ralph, Stephen F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 7 |
| Pages of publication | 3136 - 3150 |
| a | 31.9069 ± 0.0003 Å |
| b | 15.0731 ± 0.0002 Å |
| c | 20.8035 ± 0.0002 Å |
| α | 90° |
| β | 125.47 ± 0.0006° |
| γ | 90° |
| Cell volume | 8148.4 ± 0.17 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections | 0.1121 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9815 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180042 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36. |
7033613.cif |
| 133310 | 2015-03-06 | cif/ Updating files of 7033613, 7033614, 7033615 Original log message: Adding full bibliography for 7033613--7033615.cif. |
7033613.cif |
| 129502 | 2015-01-10 | cif/ Adding structures of 7033613, 7033614, 7033615 via cif-deposit CGI script. |
7033613.cif |
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Users of the data should acknowledge the original authors of the
structural data.