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Information card for entry 4078292
Preview
| Coordinates | 4078292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H40 B Fe2 P |
|---|---|
| Calculated formula | C31 H40 B Fe2 P |
| SMILES | [Fe]12345678([c]9%10[c]1([cH]2[cH]3[cH]49)[C@H]([P]([C@H](C)[c]12[c]3([Fe]49%11%12%13%141([cH]2[cH]4[cH]39)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)C%10)(C1CCCCC1)[BH3])C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines |
| Authors of publication | Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi) |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 3745 |
| a | 12.9833 ± 0.0002 Å |
| b | 18.9236 ± 0.0003 Å |
| c | 22.7786 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5596.49 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0632 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178671 (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 4/07/82. |
4078292.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 {}' |
4078292.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078292.cif |
| 59884 | 2012-06-14 | cif/ Adding structures of 4078292, 4078293, 4078294, 4078295, 4078296 via cif-deposit CGI script. |
4078292.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.