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Information card for entry 4068962
Preview
| Coordinates | 4068962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Dimethyl 2-(1,3-dineopentyl-1,2-dihydro-benzo[c][1,3,2]diazaphosphol-2-yl)- 3-(diphenylphosphino)succinate dichloro palladium(II) |
|---|---|
| Formula | C38.5 H54.5 Cl2 N3.5 O5.5 P2 Pd |
| Calculated formula | C38.5 H54.5 Cl2 N3.5 O5.5 P2 Pd |
| Title of publication | Diphosphination of Electron Poor Alkenes |
| Authors of publication | Hajdók, Imre; Lissner, Falk; Nieger, Martin; Strobel, Sabine; Gudat, Dietrich |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 6 |
| Pages of publication | 1644 |
| a | 23.899 ± 0.002 Å |
| b | 14.033 ± 0.001 Å |
| c | 25.17 ± 0.002 Å |
| α | 90° |
| β | 94.36 ± 0.01° |
| γ | 90° |
| Cell volume | 8417 ± 1.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.1706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4068962.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 {}' |
4068962.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068962.cif |
| 40064 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068962 via cif-deposit CGI script. |
4068962.cif |
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Users of the data should acknowledge the original authors of the
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