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Information card for entry 4069362
Preview
| Coordinates | 4069362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H33 Cl N3 O7 P Pt |
|---|---|
| Calculated formula | C36 H27 Cl N3 O7 P Pt |
| SMILES | [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O)C#[N]c1c(cccc1C)C |
| Title of publication | Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes |
| Authors of publication | Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 3501 |
| a | 10.2286 ± 0.0012 Å |
| b | 18.145 ± 0.002 Å |
| c | 19.724 ± 0.002 Å |
| α | 90° |
| β | 104.636 ± 0.002° |
| γ | 90° |
| Cell volume | 3541.9 ± 0.7 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0826 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178582 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93. |
4069362.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 {}' |
4069362.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069362.cif |
| 40263 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069353, 4069354, 4069355, 4069356, 4069357, 4069358, 4069359, 4069360, 4069361, 4069362, 4069363, 4069364, 4069365, 4069366, 4069367, 4069368 via cif-deposit CGI script. |
4069362.cif |
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Users of the data should acknowledge the original authors of the
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