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Information card for entry 4065100
Preview
| Coordinates | 4065100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3 |
|---|---|
| Formula | C66 H82 P4 Pt2 |
| Calculated formula | C66 H82 P4 Pt2 |
| Title of publication | Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination |
| Authors of publication | Nguyen, Minh-Hai; Yip, John H. K. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 23 |
| Pages of publication | 6383 |
| a | 9.3267 ± 0.0012 Å |
| b | 10.0902 ± 0.0013 Å |
| c | 32.989 ± 0.004 Å |
| α | 90° |
| β | 94.049 ± 0.003° |
| γ | 90° |
| Cell volume | 3096.8 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178544 (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 4/06/51. |
4065100.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 {}' |
4065100.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065100.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065100.cif |
| 33156 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065098, 4065099, 4065100, 4065101, 4065102, 4065103 via cif-deposit CGI script. |
4065100.cif |
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Users of the data should acknowledge the original authors of the
structural data.