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Information card for entry 4078295
Preview
| Coordinates | 4078295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H37 Au Cl Fe2 P |
|---|---|
| Calculated formula | C31 H37 Au Cl Fe2 P |
| SMILES | [Au](Cl)[P]1([C@@H]([c]23[Fe]456789%10([c]2([cH]6[cH]5[cH]34)C[c]23[c]4([Fe]56%11%12%13%142([cH]4[cH]5[cH]36)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)[C@H]1C)[cH]1[cH]%10[cH]9[cH]8[cH]71)C)C1CCCCC1 |
| 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 | 7.21077 ± 0.00017 Å |
| b | 18.2833 ± 0.0004 Å |
| c | 20.809 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2743.39 ± 0.11 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| 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 | 0.0285 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0326 |
| Weighted residual factors for all reflections included in the refinement | 0.0332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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. |
4078295.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078295.cif |
| 59884 | 2012-06-14 | cif/ Adding structures of 4078292, 4078293, 4078294, 4078295, 4078296 via cif-deposit CGI script. |
4078295.cif |
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Users of the data should acknowledge the original authors of the
structural data.