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Information card for entry 4331546
Preview
| Coordinates | 4331546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H62 Cl2 N6 O13 Ru |
|---|---|
| Calculated formula | C42 H36 Cl2 N6 O13 Ru |
| Title of publication | Interaction ofrac-[Ru(5,6-dmp)3]2+with DNA: Enantiospecific DNA Binding and Ligand-Promoted Exciton Coupling |
| Authors of publication | Uma Maheswari, Palanisamy; Rajendiran, Venugopal; Stoeckli-Evans, Helen; Palaniandavar, Mallayan |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 37 - 50 |
| a | 11.702 ± 0.001 Å |
| b | 12.2803 ± 0.0009 Å |
| c | 18.7338 ± 0.0014 Å |
| α | 103.159 ± 0.006° |
| β | 105.697 ± 0.006° |
| γ | 100.053 ± 0.006° |
| Cell volume | 2442.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0855 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287885 (current) | 2023-11-30 | cif/ Corrected the '_diffrn_radiation_monochromator' data name in entries 4331546, 7241775. |
4331546.cif |
| 179418 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15. |
4331546.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4331546.cif |
| 97696 | 2014-01-29 | cif/ Adding structures of 4331546 via cif-deposit CGI script. |
4331546.cif |
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