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Information card for entry 4080238
Preview
| Coordinates | 4080238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H40 N2 O6 P2 Pt |
|---|---|
| Calculated formula | C51 H40 N2 O6 P2 Pt |
| SMILES | [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH](=[CH]1C(=O)Oc1ccc(N(=O)=O)cc1)c1ccc(N(=O)=O)cc1 |
| Title of publication | Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes |
| Authors of publication | Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 6 |
| Pages of publication | 1643 |
| a | 23.0336 ± 0.0013 Å |
| b | 9.5895 ± 0.0006 Å |
| c | 19.7733 ± 0.0012 Å |
| α | 90° |
| β | 93.581 ± 0.002° |
| γ | 90° |
| Cell volume | 4359 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0164 |
| Residual factor for significantly intense reflections | 0.0149 |
| Weighted residual factors for significantly intense reflections | 0.0344 |
| Weighted residual factors for all reflections included in the refinement | 0.036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178691 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/02. |
4080238.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4080238.cif |
| 85879 | 2013-05-07 | cif/ Adding structures of 4080232, 4080233, 4080234, 4080235, 4080236, 4080237, 4080238, 4080239, 4080240 via cif-deposit CGI script. |
4080238.cif |
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Users of the data should acknowledge the original authors of the
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