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Information card for entry 4339832
Preview
| Coordinates | 4339832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H96 P8 Pd2 |
|---|---|
| Calculated formula | C96 H96 P8 Pd2 |
| SMILES | [Pd]123[P](CC[P@]1(CC[P@]1([Pd]4([P](CC1)(c1ccccc1)c1ccccc1)[P@](CC[P@@]3(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(CC[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine). |
| Authors of publication | Kitto, Heather J.; Rae, A. David; Webster, Richard D.; Willis, Anthony C.; Wild, S. Bruce |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 19 |
| Pages of publication | 8059 - 8070 |
| a | 14.8875 ± 0.0008 Å |
| b | 16.5889 ± 0.0009 Å |
| c | 19.0688 ± 0.0011 Å |
| α | 105.936 ± 0.002° |
| β | 100.285 ± 0.004° |
| γ | 90.298 ± 0.003° |
| Cell volume | 4448.3 ± 0.4 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.149 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections | 0.119 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4339832.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 {}' |
4339832.cif |
| 117566 | 2014-06-15 | cif/ Adding structures of 4339829, 4339830, 4339831, 4339832 via cif-deposit CGI script. |
4339832.cif |
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Users of the data should acknowledge the original authors of the
structural data.