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Information card for entry 4064181
Preview
| Coordinates | 4064181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H62 I4 N10 Pd2 |
|---|---|
| Calculated formula | C38 H62 I4 N10 Pd2 |
| SMILES | C(=N\C1CCCCC1)(c1c(C)n(C)[n+](c1C)CC)\[Pd]1(I)[I][Pd](C(=N\C2CCCCC2)/c2c(C)[n+](C)n(c2C)CC)(I)[I]1.CC#N.C(#N)C.C(#N)C.C(#N)C |
| Title of publication | Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides |
| Authors of publication | Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1224 |
| a | 8.7 ± 0.0011 Å |
| b | 10.0247 ± 0.0013 Å |
| c | 15.825 ± 0.002 Å |
| α | 81.02 ± 0.003° |
| β | 85.403 ± 0.003° |
| γ | 66.2 ± 0.002° |
| Cell volume | 1247.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (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 4/06/41. |
4064181.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 {}' |
4064181.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064181.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064181.cif |
| 32808 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064177, 4064178, 4064179, 4064180, 4064181 via cif-deposit CGI script. |
4064181.cif |
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Users of the data should acknowledge the original authors of the
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