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Information card for entry 7016842
Preview
| Coordinates | 7016842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H66 Au2 Fe N8 P2 Se2 |
|---|---|
| Calculated formula | C62 H66 Au2 Fe N8 P2 Se2 |
| SMILES | C(=N/N=C(C)/c1ncccc1)(/[Se][Au][P](c1ccccc1)(c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([P]([Au][Se]/C(=N\N=C(C)\c3ncccc3)N3CCC(CC3)C)(c3ccccc3)c3ccccc3)[cH]1[cH]6[cH]7[cH]82)N1CCC(CC1)C |
| Title of publication | Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands. |
| Authors of publication | Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 38 |
| Pages of publication | 9810 - 9820 |
| a | 11.4658 ± 0.0002 Å |
| b | 11.476 ± 0.0002 Å |
| c | 12.2708 ± 0.0002 Å |
| α | 101.554 ± 0.001° |
| β | 100.561 ± 0.001° |
| γ | 106.828 ± 0.001° |
| Cell volume | 1463.18 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179872 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68. |
7016842.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 {}' |
7016842.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016842.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016842.cif |
| 28091 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016837, 7016838, 7016839, 7016840, 7016841, 7016842 via cif-deposit CGI script. |
7016842.cif |
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