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Information card for entry 7026518
Preview
| Coordinates | 7026518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (PPh3)2PtSeDbb_CH2Cl2 |
|---|---|
| Chemical name | selenaplatinacycle |
| Formula | C53 H44 Cl2 P2 Pt Se |
| Calculated formula | C53 H44 Cl2 P2 Pt Se |
| SMILES | [Pt]1([Se]C23C1CC(c1c2cccc1)c1c3cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication | Thermal reaction of a (hydrido)(selenolato)platinum(II) complex having a dibenzobarrelenyl group leading to three cyclometalations. |
| Authors of publication | Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 27 |
| Pages of publication | 6181 - 6183 |
| a | 10.5381 ± 0.0008 Å |
| b | 12.8984 ± 0.001 Å |
| c | 17.2005 ± 0.0014 Å |
| α | 84.159 ± 0.002° |
| β | 80.716 ± 0.002° |
| γ | 78.702 ± 0.002° |
| Cell volume | 2256.7 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179971 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65. |
7026518.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 {}' |
7026518.cif |
| 93521 | 2014-01-13 | cif/ Adding structures of 7026518, 7026519 via cif-deposit CGI script. |
7026518.cif |
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Users of the data should acknowledge the original authors of the
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