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Information card for entry 4075609
Preview
| Coordinates | 4075609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 Cl3 N5 O14 Pt |
|---|---|
| Calculated formula | C27 H27 N5 O14 Pt |
| SMILES | [Pt]1(c2c(N(=[O]1)=O)c(c(c(c2N(=O)=O)OC)OC)OC)(c1c(c(c(c(c1N(=O)=O)OC)OC)OC)N(=O)=O)C#[N]c1c(cccc1C)C |
| Title of publication | Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization† |
| Authors of publication | Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 18 |
| Pages of publication | 4247 |
| a | 32.917 ± 0.003 Å |
| b | 8.544 ± 0.0008 Å |
| c | 51.357 ± 0.005 Å |
| α | 90° |
| β | 104.698 ± 0.008° |
| γ | 90° |
| Cell volume | 13971 ± 2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1276 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.1838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178645 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56. |
4075609.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 {}' |
4075609.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075609.cif |
| 49348 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075609 via cif-deposit CGI script. |
4075609.cif |
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