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Information card for entry 7028066
Preview
| Coordinates | 7028066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H44.02 Cl1.22 P2 Pt |
|---|---|
| Calculated formula | C51 H44.24 Cl1.216 P2 Pt |
| Title of publication | Generation of (η2-benzyne)bis(triphenylphosphine)platinum(>0>): orthometallation of the Pt(PPh3)2 complexes of benzyne (C6H4 ) and cyclohexyne (C6H8) |
| Authors of publication | Bennett, Martin A.; Dirnberger, Thomas; Hockless, David C. R.; Wenger, Eric; Willis, Anthony C. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 2 |
| Pages of publication | 271 |
| a | 10.91 ± 0.003 Å |
| b | 22.913 ± 0.004 Å |
| c | 16.877 ± 0.004 Å |
| α | 90° |
| β | 100.28 ± 0.02° |
| γ | 90° |
| Cell volume | 4151.2 ± 1.7 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Goodness-of-fit parameter for all reflections | 1.03 |
| Goodness-of-fit parameter for significantly intense reflections | 1.047 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7028066.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 {}' |
7028066.cif |
| 97573 | 2014-01-29 | cif/ Adding structures of 7028066 via cif-deposit CGI script. |
7028066.cif |
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Users of the data should acknowledge the original authors of the
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