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Information card for entry 7113795
Preview
| Coordinates | 7113795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H44 Cl8 N4 P2 Pd2 |
|---|---|
| Calculated formula | C35 H44 Cl8 N4 P2 Pd2 |
| SMILES | [Pd]12([Pd]3(Cl)[P](C[P]1(c1c([N]2(C)C)cccc1)c1c(N(C)C)cccc1)(c1c([N]3(C)C)cccc1)c1c(N(C)C)cccc1)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Diastereoselective formation of a dipalladium(I) complex supported by a bridging tetradentate ligand, and oxidative addition of RS‒H across a phosphine-bridged Pd^I^‒Pd^I^ bond |
| Authors of publication | Foo, S. Jo Ling; Jones, Nathan D.; Patrick, Brian O.; James, Brian R. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 8 |
| Pages of publication | 988 - 989 |
| a | 44.988 ± 0.004 Å |
| b | 9.984 ± 0.002 Å |
| c | 24.531 ± 0.004 Å |
| α | 90° |
| β | 122.73 ± 0.01° |
| γ | 90° |
| Cell volume | 9269 ± 3 Å3 |
| Cell temperature | 198.2 K |
| Ambient diffraction temperature | 198.2 K |
| Number of distinct elements | 6 |
| 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 | 0.1343 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections | 1.393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.393 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104071 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210404 (current) | 2018-09-04 | cif/7/ Updating bibliography in entries 7104071-7104072, 7113795-7113796. Marking entries 7113795-7113796 as duplicates of entries 7104071-7104072. |
7113795.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113795.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 {}' |
7113795.cif |
| 115271 | 2014-06-02 | cif/ Adding structures of 7113795, 7113796 via cif-deposit CGI script. |
7113795.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.