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Information card for entry 4073491
Preview
| Coordinates | 4073491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | η^6^-1,4-di(diallylamino)-trans-but-2-ene nickel(0) |
|---|---|
| Formula | C16 H26 N2 Ni |
| Calculated formula | C16 H26 N2 Ni |
| SMILES | [CH2]1=[CH]2CN(C[CH]3=[CH]4CN(C[CH]5=[CH2][Ni]12345)CC=C)CC=C |
| Title of publication | 4,9-Diazadodeca-1,trans-6,11-trienes as Ligands for Nickel(0), Palladium(0), and Platinum(0) |
| Authors of publication | Blum, Klaus; Chernyshova, Eleonora S.; Goddard, Richard; Jonas, Klaus; Pörschke, Klaus-Richard |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 21 |
| Pages of publication | 5174 |
| a | 13.2497 ± 0.0003 Å |
| b | 4.7547 ± 0.00001 Å |
| c | 25.7761 ± 0.0005 Å |
| α | 90° |
| β | 104.636 ± 0.0001° |
| γ | 90° |
| Cell volume | 1571.16 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178623 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34. |
4073491.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 {}' |
4073491.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073491.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073491.cif |
| 46372 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073491 via cif-deposit CGI script. |
4073491.cif |
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Users of the data should acknowledge the original authors of the
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