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Information card for entry 4321680
Preview
| Coordinates | 4321680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (SP-4-3)-chloro(trans-cyclohexane-1,2-diamine-N,N')(dimethylsulfoxyde-S) platinum(II) trichloro(dimethylsulfoxyde-S)platinate |
|---|---|
| Formula | C10 H26 Cl4 N2 O2 Pt2 S2 |
| Calculated formula | C10 H26 Cl4 N2 O2 Pt2 S2 |
| SMILES | [Pt]1([S](=O)(C)C)(Cl)[NH2][C@H]2CCCC[C@@H]2[NH2]1.[Pt]([S](=O)(C)C)(Cl)(Cl)Cl.[Pt]1([S](=O)(C)C)(Cl)[NH2][C@@H]2CCCC[C@H]2[NH2]1.[Pt]([S](=O)(C)C)(Cl)(Cl)Cl |
| Title of publication | Effect of Ring Size on Coordination Properties of trans-1,2-Cycloalkanediamine Ligands: Synthesis of Dinuclear Platinum(II) Complexes as Potential DNA Cross-Linkers |
| Authors of publication | Sandrine Ongeri; David J. Aitken; Henri-Philippe Husson; Jiří Kozelka; Bernard Viossat |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 6131 - 6133 |
| a | 10.345 ± 0.002 Å |
| b | 11.306 ± 0.001 Å |
| c | 18.083 ± 0.002 Å |
| α | 90° |
| β | 98.93 ± 0.02° |
| γ | 90° |
| Cell volume | 2089.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0395 |
| Goodness-of-fit parameter for significantly intense reflections | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190534 (current) | 2017-01-15 | cif/ (antanas@kurmis) Correcting the _chemical_formula_sum data item values in entries 4029572, 4077675, 4321680, 7027199, 7027200, 7114736. |
4321680.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4321680.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 {}' |
4321680.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321680.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321680.cif |
| 19445 | 2011-05-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4321680 via cif-deposit CGI script. |
4321680.cif |
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Users of the data should acknowledge the original authors of the
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